[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol

C16H17ClO2 — CID 112612639

IUPAC[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)cc(COc2c(Cl)cccc2CO)c1
InChIInChI=1S/C16H17ClO2/c1-11-6-12(2)8-13(7-11)10-19-16-14(9-18)4-3-5-15(16)17/h3-8,18H,9-10H2,1-2H3
InChIKeyQBKFPXDORSNGAS-UHFFFAOYSA-N
MW276.76 g/mol
LogP4.03
Rot. Bonds4

About [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol

[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol (PubChem CID 112612639) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
PubChem CID112612639
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)cc(COc2c(Cl)cccc2CO)c1
InChIInChI=1S/C16H17ClO2/c1-11-6-12(2)8-13(7-11)10-19-16-14(9-18)4-3-5-15(16)17/h3-8,18H,9-10H2,1-2H3
InChIKeyQBKFPXDORSNGAS-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 115956314
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
[3-chloro-2-[(3-methylphenyl)methoxy]phenyl]methanamine
CID 112607698
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
[5-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 54910865
(3-chloro-2-octoxyphenyl)methanol
CID 112612718
[2-[(2-chloro-4-methylphenyl)methoxy]-3-fluorophenyl]methanol
CID 106864412
3-[[2-chloro-6-(hydroxymethyl)phenoxy]methyl]pentan-3-ol
CID 114494489

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol (CID 112612639) is [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol is Cc1cc(C)cc(COc2c(Cl)cccc2CO)c1.
What is the InChIKey of [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
The InChIKey is QBKFPXDORSNGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-11-6-12(2)8-13(7-11)10-19-16-14(9-18)4-3-5-15(16)17/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol?
[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol has a molecular weight of 276.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 112612639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).