[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol

C17H20O2 — CID 97179311

IUPAC[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol
SMILESCc1ccccc1COc1c(CO)ccc(C)c1C
InChIInChI=1S/C17H20O2/c1-12-8-9-15(10-18)17(14(12)3)19-11-16-7-5-4-6-13(16)2/h4-9,18H,10-11H2,1-3H3
InChIKeyCWSXXKJTIXTALE-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.68
Rot. Bonds4

About [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol

[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol (PubChem CID 97179311) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol.

Molecular Properties

Compound Name[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol
PubChem CID97179311
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol
SMILESCc1ccccc1COc1c(CO)ccc(C)c1C
InChIInChI=1S/C17H20O2/c1-12-8-9-15(10-18)17(14(12)3)19-11-16-7-5-4-6-13(16)2/h4-9,18H,10-11H2,1-3H3
InChIKeyCWSXXKJTIXTALE-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol
CID 97179315
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
[2-[(2-bromo-4-fluorophenyl)methoxy]-3-methylphenyl]methanol
CID 112612374
methyl 2-(3,4-dimethyl-2-phenylmethoxyphenyl)acetate
CID 141452620
[3-bromo-5-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methanol
CID 43627218
3,5-dichloro-4-[(2-methylphenyl)methoxy]benzoic acid
CID 45400355
[4-[(2-methylphenyl)methyl]phenyl]methanol
CID 22408263
1-[3,5-dimethyl-4-[(2-methylphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43276668
4-[(2-methylphenyl)methoxy]quinazoline
CID 112787376
2-(hydroxymethyl)-5-[(2-methylphenyl)methoxy]pyran-4-one
CID 71683737
3-chloro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 112612002
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol?
The IUPAC name of [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol (CID 97179311) is [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol.
What is the SMILES notation for [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol?
The canonical SMILES for [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol is Cc1ccccc1COc1c(CO)ccc(C)c1C.
What is the InChIKey of [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol?
The InChIKey is CWSXXKJTIXTALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12-8-9-15(10-18)17(14(12)3)19-11-16-7-5-4-6-13(16)2/h4-9,18H,10-11H2,1-3H3.
What are the key properties of [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol?
[3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol has a molecular weight of 256.34 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-2-[(2-methylphenyl)methoxy]phenyl]methanol is sourced from PubChem (CID 97179311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).