(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone

C25H40O2 — CID 158895030

IUPAC(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone
SMILESCCCCCCCCCCCCc1ccccc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-13-14-19-23(22)24(26)25(27)20-15-11-16-21-25/h13-14,18-19,27H,2-12,15-17,20-21H2,1H3
InChIKeyJESOEIGUTFUHRC-UHFFFAOYSA-N
MW372.59 g/mol
LogP7.03
Rot. Bonds13

About (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone

(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone (PubChem CID 158895030) has the molecular formula C25H40O2 and a molecular weight of 372.59 g/mol. Its IUPAC name is (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone
PubChem CID158895030
Molecular FormulaC25H40O2
Molecular Weight372.59 g/mol
Exact Mass372.30
IUPAC Name(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone
SMILESCCCCCCCCCCCCc1ccccc1C(=O)C1(O)CCCCC1
InChIInChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-13-14-19-23(22)24(26)25(27)20-15-11-16-21-25/h13-14,18-19,27H,2-12,15-17,20-21H2,1H3
InChIKeyJESOEIGUTFUHRC-UHFFFAOYSA-N
XLogP7.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.59
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-octylbenzamide
CID 11148995
2-dodecylbenzenecarbothioic S-acid
CID 19748613
azane;2-octylbenzoic acid
CID 70171834
CID 159889030
CID 159889030
magnesium bis(2-hexylbenzoate)
CID 70520345
zinc bis(2-heptylbenzoate)
CID 101299904
1-(2-octadecylphenyl)butan-1-one
CID 174561443
magnesium;2-hexylbenzoic acid;hydride
CID 173426888
2-docosylbenzenecarboperoxoic acid
CID 90868590
phenyl-(2-tridecylphenyl)methanone
CID 159151783
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227

Frequently Asked Questions

What is the IUPAC name of (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone?
The IUPAC name of (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone (CID 158895030) is (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone.
What is the SMILES notation for (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone?
The canonical SMILES for (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone is CCCCCCCCCCCCc1ccccc1C(=O)C1(O)CCCCC1.
What is the InChIKey of (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone?
The InChIKey is JESOEIGUTFUHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40O2/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-13-14-19-23(22)24(26)25(27)20-15-11-16-21-25/h13-14,18-19,27H,2-12,15-17,20-21H2,1H3.
What are the key properties of (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone?
(2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone has a molecular weight of 372.59 g/mol, XLogP of 7.03, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dodecylphenyl)-(1-hydroxycyclohexyl)methanone is sourced from PubChem (CID 158895030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).