4-(3-hydroxypropyl)-3-methylphenol

C10H14O2 — CID 117276402

IUPAC4-(3-hydroxypropyl)-3-methylphenol
SMILESCc1cc(O)ccc1CCCO
InChIInChI=1S/C10H14O2/c1-8-7-10(12)5-4-9(8)3-2-6-11/h4-5,7,11-12H,2-3,6H2,1H3
InChIKeyJTTYVOBSRBUEND-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.63
Rot. Bonds3

About 4-(3-hydroxypropyl)-3-methylphenol

4-(3-hydroxypropyl)-3-methylphenol (PubChem CID 117276402) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)-3-methylphenol.

Molecular Properties

Compound Name4-(3-hydroxypropyl)-3-methylphenol
PubChem CID117276402
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-(3-hydroxypropyl)-3-methylphenol
SMILESCc1cc(O)ccc1CCCO
InChIInChI=1S/C10H14O2/c1-8-7-10(12)5-4-9(8)3-2-6-11/h4-5,7,11-12H,2-3,6H2,1H3
InChIKeyJTTYVOBSRBUEND-UHFFFAOYSA-N
XLogP1.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)-3-methylphenol?
The IUPAC name of 4-(3-hydroxypropyl)-3-methylphenol (CID 117276402) is 4-(3-hydroxypropyl)-3-methylphenol.
What is the SMILES notation for 4-(3-hydroxypropyl)-3-methylphenol?
The canonical SMILES for 4-(3-hydroxypropyl)-3-methylphenol is Cc1cc(O)ccc1CCCO.
What is the InChIKey of 4-(3-hydroxypropyl)-3-methylphenol?
The InChIKey is JTTYVOBSRBUEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-7-10(12)5-4-9(8)3-2-6-11/h4-5,7,11-12H,2-3,6H2,1H3.
What are the key properties of 4-(3-hydroxypropyl)-3-methylphenol?
4-(3-hydroxypropyl)-3-methylphenol has a molecular weight of 166.22 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)-3-methylphenol is sourced from PubChem (CID 117276402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).