HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

{2-Chloro-6-[(phenylmethyl)oxy]phenyl}methanol

HCID 28945839
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OCc1c(Cl)cccc1OCc1ccccc1
InChIKey
WVTHXPYNVBRHBW-UHFFFAOYSA-N
Molecular formula
C14H13ClO2
Average molar mass
248.7 g/mol
Monoisotopic mass
248.0604073

Names & identifiers

Preferred name
{2-Chloro-6-[(phenylmethyl)oxy]phenyl}methanol
IUPAC
(2-chloro-6-phenylmethoxyphenyl)methanol

Names & synonyms

1037139-29-9{2-Chloro-6-[(phenylmethyl)oxy]phenyl}methanolSCHEMBL695445WVTHXPYNVBRHBW-UHFFFAOYSA-NDA-32183

Database identifiers

PubChem CID
28945839

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Formal charge
0
Complexity
216

Related reactions

4 records
New reaction record
HRID 126448 reaction equation
HRID 126448As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 944166 reaction equation
HRID 944166As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1946297 reaction equation
HRID 1946297As productuspto-grants-2013_03
HRID 1946298 reaction equation
HRID 1946298As reactantuspto-grants-2013_03

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes