2-[(4-methylphenyl)methyl]phenol

C14H14O — CID 3646020

IUPAC2-[(4-methylphenyl)methyl]phenol
SMILESCc1ccc(Cc2ccccc2O)cc1
InChIInChI=1S/C14H14O/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15/h2-9,15H,10H2,1H3
InChIKeyTVGZELAGISCEBS-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.29
Rot. Bonds2

About 2-[(4-methylphenyl)methyl]phenol

2-[(4-methylphenyl)methyl]phenol (PubChem CID 3646020) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]phenol.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]phenol
PubChem CID3646020
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name2-[(4-methylphenyl)methyl]phenol
SMILESCc1ccc(Cc2ccccc2O)cc1
InChIInChI=1S/C14H14O/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15/h2-9,15H,10H2,1H3
InChIKeyTVGZELAGISCEBS-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]phenol?
The IUPAC name of 2-[(4-methylphenyl)methyl]phenol (CID 3646020) is 2-[(4-methylphenyl)methyl]phenol.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]phenol?
The canonical SMILES for 2-[(4-methylphenyl)methyl]phenol is Cc1ccc(Cc2ccccc2O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]phenol?
The InChIKey is TVGZELAGISCEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-11-6-8-12(9-7-11)10-13-4-2-3-5-14(13)15/h2-9,15H,10H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]phenol?
2-[(4-methylphenyl)methyl]phenol has a molecular weight of 198.26 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]phenol is sourced from PubChem (CID 3646020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).