(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol

C18H26O2 — CID 10683740

IUPAC(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
SMILESC=C(C[C@H](O)C1CCCCC1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H26O2/c1-14(12-18(20)16-10-6-3-7-11-16)17(13-19)15-8-4-2-5-9-15/h2,4-5,8-9,16-20H,1,3,6-7,10-13H2/t17-,18+/m1/s1
InChIKeyLVKMIFNFLQLQKT-MSOLQXFVSA-N
MW274.40 g/mol
LogP3.65
Rot. Bonds6

About (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol

(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol (PubChem CID 10683740) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol.

Molecular Properties

Compound Name(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
PubChem CID10683740
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
SMILESC=C(C[C@H](O)C1CCCCC1)[C@@H](CO)c1ccccc1
InChIInChI=1S/C18H26O2/c1-14(12-18(20)16-10-6-3-7-11-16)17(13-19)15-8-4-2-5-9-15/h2,4-5,8-9,16-20H,1,3,6-7,10-13H2/t17-,18+/m1/s1
InChIKeyLVKMIFNFLQLQKT-MSOLQXFVSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
1-cyclohexyl-3-methylidenebutane-1,4-diol
CID 10241499
1-cyclohexyl-3-hydroxy-2-phenylpropan-1-one
CID 171934096
(R)-cycloheptyl(phenyl)methanol
CID 94502427
(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
CID 10540298
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
CID 134954711
2-cyclopentyl-1-phenylethanol
CID 15629098
(1R)-1-cyclopentyl-2-phenylethanol
CID 39238299
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
CID 10643161

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol?
The IUPAC name of (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol (CID 10683740) is (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol.
What is the SMILES notation for (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol?
The canonical SMILES for (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol is C=C(C[C@H](O)C1CCCCC1)[C@@H](CO)c1ccccc1.
What is the InChIKey of (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol?
The InChIKey is LVKMIFNFLQLQKT-MSOLQXFVSA-N. The full InChI is InChI=1S/C18H26O2/c1-14(12-18(20)16-10-6-3-7-11-16)17(13-19)15-8-4-2-5-9-15/h2,4-5,8-9,16-20H,1,3,6-7,10-13H2/t17-,18+/m1/s1.
What are the key properties of (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol?
(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol has a molecular weight of 274.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol is sourced from PubChem (CID 10683740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).