(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol

C17H24O — CID 101185630

IUPAC(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol
SMILESCC1=CCCCC[C@@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C17H24O/c1-14-8-4-2-7-11-16(14)17(18)13-12-15-9-5-3-6-10-15/h3,5-6,8-10,16-18H,2,4,7,11-13H2,1H3/t16-,17+/m0/s1
InChIKeyKKXGUDPALDTPQC-DLBZAZTESA-N
MW244.38 g/mol
LogP4.12
Rot. Bonds4

About (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol

(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol (PubChem CID 101185630) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol
PubChem CID101185630
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol
SMILESCC1=CCCCC[C@@H]1[C@H](O)CCc1ccccc1
InChIInChI=1S/C17H24O/c1-14-8-4-2-7-11-16(14)17(18)13-12-15-9-5-3-6-10-15/h3,5-6,8-10,16-18H,2,4,7,11-13H2,1H3/t16-,17+/m0/s1
InChIKeyKKXGUDPALDTPQC-DLBZAZTESA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.12
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

(1R)-1-cyclopentyl-3-phenylpropan-1-ol
CID 15361902
(1R)-1-[(1S)-cyclohex-2-en-1-yl]-3-phenylpropan-1-ol
CID 101047388
trans-(1R,2S)-1-cyclohexyl-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclopropan-1-ol
CID 101070884
(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol
CID 142509256
[(3R)-3-cyclohexylbutyl]benzene
CID 102579407
(1R,5R)-1-cyclohexyl-7-phenylheptane-1,5-diol
CID 46914940
3,3-dicyclohexylpropylbenzene
CID 86671113
cis-(2S,3S)-3-hydroxy-2-[(1R)-1-hydroxy-3-phenylpropyl]cyclohexan-1-one
CID 101184924
(2R)-2-[(2R)-4-phenylbutan-2-yl]cycloheptan-1-one
CID 134922324
(E)-1-cyclopentyl-5-phenylpent-1-en-3-ol
CID 10263265
N-methyl-1-[1-(4-phenylbutan-2-yl)piperidin-2-yl]methanamine
CID 63249483
1-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-3-phenylpropan-1-ol
CID 131897606

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol?
The IUPAC name of (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol (CID 101185630) is (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol?
The canonical SMILES for (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol is CC1=CCCCC[C@@H]1[C@H](O)CCc1ccccc1.
What is the InChIKey of (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol?
The InChIKey is KKXGUDPALDTPQC-DLBZAZTESA-N. The full InChI is InChI=1S/C17H24O/c1-14-8-4-2-7-11-16(14)17(18)13-12-15-9-5-3-6-10-15/h3,5-6,8-10,16-18H,2,4,7,11-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol?
(1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S)-2-methylcyclohept-2-en-1-yl]-3-phenylpropan-1-ol is sourced from PubChem (CID 101185630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).