[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol

C17H19ClO2 — CID 115956314

IUPAC[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)c(COc2c(Cl)cccc2CO)c(C)c1
InChIInChI=1S/C17H19ClO2/c1-11-7-12(2)15(13(3)8-11)10-20-17-14(9-19)5-4-6-16(17)18/h4-8,19H,9-10H2,1-3H3
InChIKeyYCAKKEDTRKNSSR-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.34
Rot. Bonds4

About [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol

[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol (PubChem CID 115956314) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
PubChem CID115956314
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
SMILESCc1cc(C)c(COc2c(Cl)cccc2CO)c(C)c1
InChIInChI=1S/C17H19ClO2/c1-11-7-12(2)15(13(3)8-11)10-20-17-14(9-19)5-4-6-16(17)18/h4-8,19H,9-10H2,1-3H3
InChIKeyYCAKKEDTRKNSSR-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-chloro-2-[(3,5-dimethylphenyl)methoxy]phenyl]methanol
CID 112612639
[3-methoxy-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol
CID 62550020
[3-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methanol
CID 112612622
2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1,3,5-trimethylbenzene
CID 115956504
[3-chloro-2-[(2-methoxyphenyl)methoxy]phenyl]methanol
CID 112612839
[3-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]phenyl]methanol
CID 103046982
[5-bromo-2-[(2,6-dichlorophenyl)methoxy]-3-methylphenyl]methanol
CID 115962142
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 112788149
(3-chloro-2-octoxyphenyl)methanol
CID 112612718

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol (CID 115956314) is [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol is Cc1cc(C)c(COc2c(Cl)cccc2CO)c(C)c1.
What is the InChIKey of [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
The InChIKey is YCAKKEDTRKNSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11-7-12(2)15(13(3)8-11)10-20-17-14(9-19)5-4-6-16(17)18/h4-8,19H,9-10H2,1-3H3.
What are the key properties of [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol?
[3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol has a molecular weight of 290.79 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2-[(2,4,6-trimethylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 115956314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).