2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol

C22H22O2 — CID 174910996

IUPAC2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol
SMILESCOc1c(Cc2ccccc2O)ccc(Cc2ccccc2)c1C
InChIInChI=1S/C22H22O2/c1-16-18(14-17-8-4-3-5-9-17)12-13-20(22(16)24-2)15-19-10-6-7-11-21(19)23/h3-13,23H,14-15H2,1-2H3
InChIKeyTYDNCSACJWYTMD-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.89
Rot. Bonds5

About 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol

2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol (PubChem CID 174910996) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol
PubChem CID174910996
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol
SMILESCOc1c(Cc2ccccc2O)ccc(Cc2ccccc2)c1C
InChIInChI=1S/C22H22O2/c1-16-18(14-17-8-4-3-5-9-17)12-13-20(22(16)24-2)15-19-10-6-7-11-21(19)23/h3-13,23H,14-15H2,1-2H3
InChIKeyTYDNCSACJWYTMD-UHFFFAOYSA-N
XLogP4.89
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 ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzylphenol;ethane
CID 91068983
lithium;2-benzylphenol;hydride
CID 174706000
2-benzyl-1-methoxynaphthalene
CID 15617899
1-benzyl-3-(3-benzyl-2-methoxyphenyl)sulfanyl-2-methoxybenzene
CID 141139496
1-benzyl-2-bromo-3,4-dimethoxybenzene
CID 10733510
1-benzyl-2-methylbenzene;hydrochloride
CID 139328614
benzylbenzene;methoxymethane
CID 161110966
azane;1-benzyl-2,3-dimethylbenzene;hydrochloride
CID 174867327
2-benzylphenol;prop-2-enoic acid
CID 69011009
5-benzyl-3,4-dimethylbenzene-1,2-diol
CID 163756803
2-benzyl-4-methoxy-3-methylphenol
CID 70517924
benzylbenzene;ethane;methoxymethane
CID 159187560

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol?
The IUPAC name of 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol (CID 174910996) is 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol?
The canonical SMILES for 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol is COc1c(Cc2ccccc2O)ccc(Cc2ccccc2)c1C.
What is the InChIKey of 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol?
The InChIKey is TYDNCSACJWYTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-16-18(14-17-8-4-3-5-9-17)12-13-20(22(16)24-2)15-19-10-6-7-11-21(19)23/h3-13,23H,14-15H2,1-2H3.
What are the key properties of 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol?
2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol has a molecular weight of 318.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-2-methoxy-3-methylphenyl)methyl]phenol is sourced from PubChem (CID 174910996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).