(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol

C18H26O2 — CID 10540298

IUPAC(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@H](OC)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-14(13-17(19)15-9-5-3-6-10-15)18(20-2)16-11-7-4-8-12-16/h3,5-6,9-10,16-19H,1,4,7-8,11-13H2,2H3/t17-,18-/m0/s1
InChIKeyJTAQYQOVHXNDEA-ROUUACIJSA-N
MW274.40 g/mol
LogP4.26
Rot. Bonds6

About (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol

(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol (PubChem CID 10540298) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
PubChem CID10540298
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol
SMILESC=C(C[C@H](O)c1ccccc1)[C@H](OC)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-14(13-17(19)15-9-5-3-6-10-15)18(20-2)16-11-7-4-8-12-16/h3,5-6,9-10,16-19H,1,4,7-8,11-13H2,2H3/t17-,18-/m0/s1
InChIKeyJTAQYQOVHXNDEA-ROUUACIJSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-3-[(R)-[tert-butyl(dimethyl)silyl]oxy-cyclohexylmethyl]-1-phenylbut-3-en-1-ol
CID 10643161
(1R)-3-cyclohexyl-1-phenylbut-3-en-1-ol
CID 134954711
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
(1S,5R)-1-cyclohexyl-5-phenylpentane-1,5-diol
CID 46915097
(R)-cycloheptyl(phenyl)methanol
CID 94502427
1-cyclopentyl-2-methoxy-2-phenylethanol
CID 116756943
(1S,4R)-1-cyclohexyl-3-methylidene-4-phenylpentane-1,5-diol
CID 10683740
(S)-cyclopentyl(phenyl)methanol
CID 36691435
(R)-cyclopentyl(phenyl)methanol
CID 38988779
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
(1S,4S)-4-(methoxymethyl)-5-methyl-3-methylidene-1-phenylhexan-1-ol
CID 10824468
2-cyclopentyl-1-phenylethanol
CID 15629098

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol?
The IUPAC name of (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol (CID 10540298) is (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol.
What is the SMILES notation for (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol?
The canonical SMILES for (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol is C=C(C[C@H](O)c1ccccc1)[C@H](OC)C1CCCCC1.
What is the InChIKey of (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol?
The InChIKey is JTAQYQOVHXNDEA-ROUUACIJSA-N. The full InChI is InChI=1S/C18H26O2/c1-14(13-17(19)15-9-5-3-6-10-15)18(20-2)16-11-7-4-8-12-16/h3,5-6,9-10,16-19H,1,4,7-8,11-13H2,2H3/t17-,18-/m0/s1.
What are the key properties of (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol?
(1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol has a molecular weight of 274.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[(R)-cyclohexyl(methoxy)methyl]-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 10540298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).