(1S,6S)-6-phenylcyclohept-2-en-1-ol

C13H16O — CID 101173341

IUPAC(1S,6S)-6-phenylcyclohept-2-en-1-ol
SMILESO[C@@H]1C=CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,5-7,9,12-14H,4,8,10H2/t12-,13+/m0/s1
InChIKeyWAVRAEVKCNKBBJ-QWHCGFSZSA-N
MW188.27 g/mol
LogP2.87
Rot. Bonds1

About (1S,6S)-6-phenylcyclohept-2-en-1-ol

(1S,6S)-6-phenylcyclohept-2-en-1-ol (PubChem CID 101173341) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,6S)-6-phenylcyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1S,6S)-6-phenylcyclohept-2-en-1-ol
PubChem CID101173341
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S,6S)-6-phenylcyclohept-2-en-1-ol
SMILESO[C@@H]1C=CCC[C@H](c2ccccc2)C1
InChIInChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,5-7,9,12-14H,4,8,10H2/t12-,13+/m0/s1
InChIKeyWAVRAEVKCNKBBJ-QWHCGFSZSA-N
XLogP2.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.87
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,6R)-6-phenylcyclohept-2-en-1-ol
CID 101173340
benzoic acid;(1S,5S)-5-phenylcyclohex-2-en-1-ol
CID 71408217
carbonic acid;cyclohex-3-en-1-ylbenzene
CID 70561702
trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
benzene;cyclopropylbenzene
CID 144638417
(1S)-cyclopent-2-en-1-ol
CID 11789128
5-phenylcyclohexane-1,3-diol
CID 14135723
(1S,6R)-6-phenylcyclohex-2-ene-1-carboxylic acid
CID 14068816
cis-(1R,2S)-4-phenylcyclohexane-1,2-dicarboxylic acid
CID 58895627
[(1S,2S,5R)-2,5-diphenylcyclohexyl]benzene
CID 100933620
2-phenyl-3,4-dihydro-2H-selenopyran-4-ol
CID 102204602
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-6-phenylcyclohept-2-en-1-ol?
The IUPAC name of (1S,6S)-6-phenylcyclohept-2-en-1-ol (CID 101173341) is (1S,6S)-6-phenylcyclohept-2-en-1-ol.
What is the SMILES notation for (1S,6S)-6-phenylcyclohept-2-en-1-ol?
The canonical SMILES for (1S,6S)-6-phenylcyclohept-2-en-1-ol is O[C@@H]1C=CCC[C@H](c2ccccc2)C1.
What is the InChIKey of (1S,6S)-6-phenylcyclohept-2-en-1-ol?
The InChIKey is WAVRAEVKCNKBBJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,5-7,9,12-14H,4,8,10H2/t12-,13+/m0/s1.
What are the key properties of (1S,6S)-6-phenylcyclohept-2-en-1-ol?
(1S,6S)-6-phenylcyclohept-2-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-6-phenylcyclohept-2-en-1-ol is sourced from PubChem (CID 101173341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).