4-(3-cyclopropyloxyphenyl)-2-methylphenol

C16H16O2 — CID 114523617

IUPAC4-(3-cyclopropyloxyphenyl)-2-methylphenol
SMILESCc1cc(-c2cccc(OC3CC3)c2)ccc1O
InChIInChI=1S/C16H16O2/c1-11-9-13(5-8-16(11)17)12-3-2-4-15(10-12)18-14-6-7-14/h2-5,8-10,14,17H,6-7H2,1H3
InChIKeyZQQKYBBWIFXNBT-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.91
Rot. Bonds3

About 4-(3-cyclopropyloxyphenyl)-2-methylphenol

4-(3-cyclopropyloxyphenyl)-2-methylphenol (PubChem CID 114523617) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-(3-cyclopropyloxyphenyl)-2-methylphenol.

Molecular Properties

Compound Name4-(3-cyclopropyloxyphenyl)-2-methylphenol
PubChem CID114523617
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name4-(3-cyclopropyloxyphenyl)-2-methylphenol
SMILESCc1cc(-c2cccc(OC3CC3)c2)ccc1O
InChIInChI=1S/C16H16O2/c1-11-9-13(5-8-16(11)17)12-3-2-4-15(10-12)18-14-6-7-14/h2-5,8-10,14,17H,6-7H2,1H3
InChIKeyZQQKYBBWIFXNBT-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyloxyphenyl)-2-methylphenol?
The IUPAC name of 4-(3-cyclopropyloxyphenyl)-2-methylphenol (CID 114523617) is 4-(3-cyclopropyloxyphenyl)-2-methylphenol.
What is the SMILES notation for 4-(3-cyclopropyloxyphenyl)-2-methylphenol?
The canonical SMILES for 4-(3-cyclopropyloxyphenyl)-2-methylphenol is Cc1cc(-c2cccc(OC3CC3)c2)ccc1O.
What is the InChIKey of 4-(3-cyclopropyloxyphenyl)-2-methylphenol?
The InChIKey is ZQQKYBBWIFXNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-9-13(5-8-16(11)17)12-3-2-4-15(10-12)18-14-6-7-14/h2-5,8-10,14,17H,6-7H2,1H3.
What are the key properties of 4-(3-cyclopropyloxyphenyl)-2-methylphenol?
4-(3-cyclopropyloxyphenyl)-2-methylphenol has a molecular weight of 240.30 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyloxyphenyl)-2-methylphenol is sourced from PubChem (CID 114523617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).