(4-cyclohexylphenyl)-(oxan-2-yl)methanone

C18H24O2 — CID 62212791

IUPAC(4-cyclohexylphenyl)-(oxan-2-yl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)C1CCCCO1
InChIInChI=1S/C18H24O2/c19-18(17-8-4-5-13-20-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h9-12,14,17H,1-8,13H2
InChIKeyHDGCUIIQBHVLOF-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.49
Rot. Bonds3

About (4-cyclohexylphenyl)-(oxan-2-yl)methanone

(4-cyclohexylphenyl)-(oxan-2-yl)methanone (PubChem CID 62212791) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (4-cyclohexylphenyl)-(oxan-2-yl)methanone.

Molecular Properties

Compound Name(4-cyclohexylphenyl)-(oxan-2-yl)methanone
PubChem CID62212791
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(4-cyclohexylphenyl)-(oxan-2-yl)methanone
SMILESO=C(c1ccc(C2CCCCC2)cc1)C1CCCCO1
InChIInChI=1S/C18H24O2/c19-18(17-8-4-5-13-20-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h9-12,14,17H,1-8,13H2
InChIKeyHDGCUIIQBHVLOF-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxyphenyl)-(oxan-2-yl)methanone
CID 67839565
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
2-(4-cyclohexylphenyl)-2-oxoacetyl chloride
CID 11107786
(4-tert-butylphenyl)-(oxolan-2-yl)methanone
CID 43160044
2-bromo-1-(4-cyclohexylphenyl)ethanone
CID 2756899
1-(4-cycloheptylphenyl)propan-1-one
CID 174630933
2-(4-cyclohexylbenzoyl)cyclopropane-1-carboxylic acid
CID 23458492
1,3-dihydro-2-benzofuran-5-yl(oxan-2-yl)methanone
CID 63021604
(4-methylphenyl)-(oxetan-2-yl)methanone
CID 144956572
[3,5-bis(4-cyclohexylbenzoyl)phenyl]-(4-cyclohexylphenyl)methanone
CID 3766004
(3,5-difluorophenyl)-(oxan-2-yl)methanone
CID 114970560
1-(4-cyclohexylphenyl)-2-[2-(4-cyclohexylphenyl)-1-hydroxy-2-oxoethoxy]-2-hydroxyethanone
CID 19261549

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylphenyl)-(oxan-2-yl)methanone?
The IUPAC name of (4-cyclohexylphenyl)-(oxan-2-yl)methanone (CID 62212791) is (4-cyclohexylphenyl)-(oxan-2-yl)methanone.
What is the SMILES notation for (4-cyclohexylphenyl)-(oxan-2-yl)methanone?
The canonical SMILES for (4-cyclohexylphenyl)-(oxan-2-yl)methanone is O=C(c1ccc(C2CCCCC2)cc1)C1CCCCO1.
What is the InChIKey of (4-cyclohexylphenyl)-(oxan-2-yl)methanone?
The InChIKey is HDGCUIIQBHVLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-18(17-8-4-5-13-20-17)16-11-9-15(10-12-16)14-6-2-1-3-7-14/h9-12,14,17H,1-8,13H2.
What are the key properties of (4-cyclohexylphenyl)-(oxan-2-yl)methanone?
(4-cyclohexylphenyl)-(oxan-2-yl)methanone has a molecular weight of 272.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclohexylphenyl)-(oxan-2-yl)methanone is sourced from PubChem (CID 62212791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).