cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol

C17H24O — CID 101481137

IUPACcis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol
SMILESC=CC(C)(C)[C@]1(O)CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H24O/c1-4-16(2,3)17(18)12-8-11-15(13-17)14-9-6-5-7-10-14/h4-7,9-10,15,18H,1,8,11-13H2,2-3H3/t15-,17-/m0/s1
InChIKeyKUDFUGYOPLWIJO-RDJZCZTQSA-N
MW244.38 g/mol
LogP4.29
Rot. Bonds3

About cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol

cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol (PubChem CID 101481137) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol
PubChem CID101481137
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Namecis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol
SMILESC=CC(C)(C)[C@]1(O)CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C17H24O/c1-4-16(2,3)17(18)12-8-11-15(13-17)14-9-6-5-7-10-14/h4-7,9-10,15,18H,1,8,11-13H2,2-3H3/t15-,17-/m0/s1
InChIKeyKUDFUGYOPLWIJO-RDJZCZTQSA-N
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
CID 102289513
2,2-dimethyl-1-(4-phenylpiperidin-1-yl)but-3-en-1-one
CID 139215922
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
tert-butylbenzene;cyclohexylbenzene
CID 158089404
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
cyclopentylbenzene;iron
CID 158512704
(2R)-2-[(1S)-2,2-diphenylcyclopropyl]but-3-en-2-ol
CID 135015191
[(1S,3R)-1-amino-3-phenylcyclopentyl]methanol
CID 67361364
3-methyl-1-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
CID 104549999
3,3-dimethyl-1-(4-phenylpiperidin-1-yl)pent-4-en-1-one
CID 72708672
CID 159076923
CID 159076923

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol?
The IUPAC name of cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol (CID 101481137) is cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol is C=CC(C)(C)[C@]1(O)CCC[C@H](c2ccccc2)C1.
What is the InChIKey of cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol?
The InChIKey is KUDFUGYOPLWIJO-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H24O/c1-4-16(2,3)17(18)12-8-11-15(13-17)14-9-6-5-7-10-14/h4-7,9-10,15,18H,1,8,11-13H2,2-3H3/t15-,17-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol?
cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-(2-methylbut-3-en-2-yl)-3-phenylcyclohexan-1-ol is sourced from PubChem (CID 101481137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).