[3-chloro-5-(hydroxymethyl)phenyl]methanol

C8H9ClO2 — CID 23562355

IUPAC[3-chloro-5-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(Cl)cc(CO)c1
InChIInChI=1S/C8H9ClO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,10-11H,4-5H2
InChIKeyCNFMFSVMWFZGSC-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.32
Rot. Bonds2

About [3-chloro-5-(hydroxymethyl)phenyl]methanol

[3-chloro-5-(hydroxymethyl)phenyl]methanol (PubChem CID 23562355) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is [3-chloro-5-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-(hydroxymethyl)phenyl]methanol
PubChem CID23562355
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name[3-chloro-5-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(Cl)cc(CO)c1
InChIInChI=1S/C8H9ClO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,10-11H,4-5H2
InChIKeyCNFMFSVMWFZGSC-UHFFFAOYSA-N
XLogP1.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 21444183
(3-chloro-5-methylsulfanylphenyl)methanol
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[3-chloro-5-(2,3,6-trichlorophenyl)phenyl]methanol
CID 134628956
[3-(hydroxymethyl)-5-trichlorosilylphenyl]methanol
CID 172526122
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
[3-azido-5-(hydroxymethyl)phenyl]methanol
CID 86006233
(3,5-dipropylphenyl)methanol
CID 23592581
[3-(hydroxymethyl)-5-(hydroxyphosphanylmethyl)phenyl]methylphosphinous acid
CID 58810738
2-[(3,5-dichlorophenyl)methylamino]ethanol
CID 60788804
1-(3,5-dichlorophenyl)-3-hydroxypropan-2-one
CID 69337464
[3,5-dichloro-4-(4-fluorophenyl)phenyl]methanol
CID 66764611

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [3-chloro-5-(hydroxymethyl)phenyl]methanol (CID 23562355) is [3-chloro-5-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [3-chloro-5-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [3-chloro-5-(hydroxymethyl)phenyl]methanol is OCc1cc(Cl)cc(CO)c1.
What is the InChIKey of [3-chloro-5-(hydroxymethyl)phenyl]methanol?
The InChIKey is CNFMFSVMWFZGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO2/c9-8-2-6(4-10)1-7(3-8)5-11/h1-3,10-11H,4-5H2.
What are the key properties of [3-chloro-5-(hydroxymethyl)phenyl]methanol?
[3-chloro-5-(hydroxymethyl)phenyl]methanol has a molecular weight of 172.61 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 23562355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).