[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol

C15H16O3 — CID 63653809

IUPAC[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
SMILESCc1cc(Oc2ccccc2CO)ccc1CO
InChIInChI=1S/C15H16O3/c1-11-8-14(7-6-12(11)9-16)18-15-5-3-2-4-13(15)10-17/h2-8,16-17H,9-10H2,1H3
InChIKeyOXTLTLLQCQCVKL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.77
Rot. Bonds4

About [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol

[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol (PubChem CID 63653809) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol.

Molecular Properties

Compound Name[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
PubChem CID63653809
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol
SMILESCc1cc(Oc2ccccc2CO)ccc1CO
InChIInChI=1S/C15H16O3/c1-11-8-14(7-6-12(11)9-16)18-15-5-3-2-4-13(15)10-17/h2-8,16-17H,9-10H2,1H3
InChIKeyOXTLTLLQCQCVKL-UHFFFAOYSA-N
XLogP2.77
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol?
The IUPAC name of [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol (CID 63653809) is [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol.
What is the SMILES notation for [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol?
The canonical SMILES for [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol is Cc1cc(Oc2ccccc2CO)ccc1CO.
What is the InChIKey of [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol?
The InChIKey is OXTLTLLQCQCVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-11-8-14(7-6-12(11)9-16)18-15-5-3-2-4-13(15)10-17/h2-8,16-17H,9-10H2,1H3.
What are the key properties of [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol?
[4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol has a molecular weight of 244.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(hydroxymethyl)phenoxy]-2-methylphenyl]methanol is sourced from PubChem (CID 63653809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).