4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one

C19H26O2 — CID 139952391

IUPAC4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one
SMILESCC1CCCC(c2ccc(O)cc2)(C2CCC(=O)CC2)C1
InChIInChI=1S/C19H26O2/c1-14-3-2-12-19(13-14,15-4-8-17(20)9-5-15)16-6-10-18(21)11-7-16/h4-5,8-9,14,16,20H,2-3,6-7,10-13H2,1H3
InChIKeyGMPXPYMLEWYKLX-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.60
Rot. Bonds2

About 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one

4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one (PubChem CID 139952391) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one
PubChem CID139952391
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one
SMILESCC1CCCC(c2ccc(O)cc2)(C2CCC(=O)CC2)C1
InChIInChI=1S/C19H26O2/c1-14-3-2-12-19(13-14,15-4-8-17(20)9-5-15)16-6-10-18(21)11-7-16/h4-5,8-9,14,16,20H,2-3,6-7,10-13H2,1H3
InChIKeyGMPXPYMLEWYKLX-UHFFFAOYSA-N
XLogP4.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one (CID 139952391) is 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one is CC1CCCC(c2ccc(O)cc2)(C2CCC(=O)CC2)C1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one?
The InChIKey is GMPXPYMLEWYKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14-3-2-12-19(13-14,15-4-8-17(20)9-5-15)16-6-10-18(21)11-7-16/h4-5,8-9,14,16,20H,2-3,6-7,10-13H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one?
4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one has a molecular weight of 286.41 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-3-methylcyclohexyl]cyclohexan-1-one is sourced from PubChem (CID 139952391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).