2-(3,5-Dimethyl-1h-pyrazol-1-yl)phenol

HCID 761553
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Basic information

CAS
83430-99-3
Standard SMILES
Cc1cc(C)n(-c2ccccc2O)n1
InChIKey
UFLNGSAFJHIAQR-UHFFFAOYSA-N
Molecular formula
C11H12N2O
Average molar mass
188.23 g/mol
Monoisotopic mass
188.09496301

Names & identifiers

Preferred name
2-(3,5-Dimethyl-1h-pyrazol-1-yl)phenol
IUPAC
2-(3,5-dimethylpyrazol-1-yl)phenol
English name
Phenol, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-
Molecular formula
C11H12N2O
Molecular weight
188.23

Names & synonyms

2-(3,5-dimethyl-1h-pyrazol-1-yl)phenol83430-99-3DTXSID60354011RefChem:251298DTXCID703050742-(3,5-dimethylpyrazol-1-yl)phenolMFCD01246360Phenol, 2-(3,5-dimethyl-1H-pyrazol-1-yl)-ChemDiv2_000039Cambridge id 5511461SCHEMBL2052349SCHEMBL17255738
Show more names
UFLNGSAFJHIAQR-UHFFFAOYSA-NHMS1369B17ALBB-027838AKOS013758410CCG-104145LS-09630EU-0035116H43724

Database identifiers

CAS
83430-99-3
PubChem CID
761553
DTXSID
DTXSID60354011

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
38.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
136.5 °C · 136.5 °C(Solv: hexane (110-54-3))
Boiling point
316.7 · 316.7±30.0 °C(Predicted)
Density
1.15 · 1.15±0.1 g/cm3(Predicted)
pka
8.81 · 8.81±0.30(Predicted)

Chemistry & industry

Suppliers4 total

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]

Related reactions

1 records
New reaction record

Compound notes

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