Dihydrodiethylstilbestrol

HCID 3606CAS 5635-50-7
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Basic information

Standard SMILES
CCC(c1ccc(O)cc1)C(CC)c1ccc(O)cc1
InChIKey
PBBGSZCBWVPOOL-UHFFFAOYSA-N
Molecular formula
C18H22O2
Average molar mass
270.4 g/mol
Monoisotopic mass
270.16197994

Overview

Hexestrol is a stilbenoid.

Names & identifiers

Preferred name
Dihydrodiethylstilbestrol
IUPAC
4-[4-(4-hydroxyphenyl)hexan-3-yl]phenol

Names & synonyms

5635-50-7DihydrodiethylstilbestrolVitestrol4,4'-(hexane-3,4-diyl)diphenolHexanestrolHexane, 3,4-bis(4-hydroxyphenyl)-Phenol, 4,4'-(1,2-diethylethylene)di-BSPBio_000857MLS0021539634-[1-ethyl-2-(4-hydroxyphenyl)butyl]phenolKBio2_003535HMS1570K19
Show more names
NSC229419NSC-229419NCGC00094818-01NSC 9894Hormoestrol; Mesohexestrol; NSC 9894; SinestrolSR-05000001870Esestrolo [DCIT]SR-05000001870-4

Database identifiers

CAS
5635-50-7
PubChem CID
3606
DTXSID
DTXSID30859129
ChEMBL
CHEMBL6615
ChEBI
CHEBI:31669
Nikkaji
J23.064B

Properties

Computed structural properties

XLogP
5.2
Topological polar surface area
40.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20

Experimental & physicochemical properties

SpringerMaterials PropertiesDiamagnetic susceptibility
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section164.14 Ų [M+K]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

Related reactions

1 records
New reaction record

Linked notes

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