[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol

C22H22O2 — CID 141427113

IUPAC[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol
SMILESCc1ccccc1COc1ccc(C(O)c2ccccc2)cc1C
InChIInChI=1S/C22H22O2/c1-16-8-6-7-11-20(16)15-24-21-13-12-19(14-17(21)2)22(23)18-9-4-3-5-10-18/h3-14,22-23H,15H2,1-2H3
InChIKeyMKGPSPQKSPJEDO-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.96
Rot. Bonds5

About [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol

[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol (PubChem CID 141427113) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol.

Molecular Properties

Compound Name[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol
PubChem CID141427113
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol
SMILESCc1ccccc1COc1ccc(C(O)c2ccccc2)cc1C
InChIInChI=1S/C22H22O2/c1-16-8-6-7-11-20(16)15-24-21-13-12-19(14-17(21)2)22(23)18-9-4-3-5-10-18/h3-14,22-23H,15H2,1-2H3
InChIKeyMKGPSPQKSPJEDO-UHFFFAOYSA-N
XLogP4.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol;ethane
CID 91382169
(1R)-2-bromo-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 59964196
2-[(2-methylphenyl)methoxy]-5-propan-2-ylaniline
CID 82132130
2,2-dichloro-1-(3-methyl-4-phenylmethoxyphenyl)ethanol
CID 164893082
(1S)-1-[2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 78931579
(1R)-1-[4-[(3-chloro-2-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 102856322
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
(1S)-N-[[2-[(2-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990570
4-[[4-[(1R)-1-hydroxyethyl]-2-methylphenoxy]methyl]-3-methylbenzonitrile
CID 104930204
2-[(2,4-dimethylphenoxy)methyl]benzenethiol
CID 54329729
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
1-[4-fluoro-2-[(2-methylphenyl)methoxy]phenyl]ethanol
CID 55147459

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol?
The IUPAC name of [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol (CID 141427113) is [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol.
What is the SMILES notation for [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol?
The canonical SMILES for [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol is Cc1ccccc1COc1ccc(C(O)c2ccccc2)cc1C.
What is the InChIKey of [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol?
The InChIKey is MKGPSPQKSPJEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-16-8-6-7-11-20(16)15-24-21-13-12-19(14-17(21)2)22(23)18-9-4-3-5-10-18/h3-14,22-23H,15H2,1-2H3.
What are the key properties of [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol?
[3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol has a molecular weight of 318.42 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(2-methylphenyl)methoxy]phenyl]-phenylmethanol is sourced from PubChem (CID 141427113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).