(3-methylphenyl)methanol

C8H10O — CID 11476

IUPAC(3-methylphenyl)methanol
SMILESCc1cccc(CO)c1
InChIInChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKeyJJCKHVUTVOPLBV-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.49
Rot. Bonds1

About (3-methylphenyl)methanol

(3-methylphenyl)methanol (PubChem CID 11476) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (3-methylphenyl)methanol.

Molecular Properties

Compound Name(3-methylphenyl)methanol
PubChem CID11476
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(3-methylphenyl)methanol
SMILESCc1cccc(CO)c1
InChIInChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3
InChIKeyJJCKHVUTVOPLBV-UHFFFAOYSA-N
XLogP1.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methanol?
The IUPAC name of (3-methylphenyl)methanol (CID 11476) is (3-methylphenyl)methanol.
What is the SMILES notation for (3-methylphenyl)methanol?
The canonical SMILES for (3-methylphenyl)methanol is Cc1cccc(CO)c1.
What is the InChIKey of (3-methylphenyl)methanol?
The InChIKey is JJCKHVUTVOPLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-7-3-2-4-8(5-7)6-9/h2-5,9H,6H2,1H3.
What are the key properties of (3-methylphenyl)methanol?
(3-methylphenyl)methanol has a molecular weight of 122.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methanol is sourced from PubChem (CID 11476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).