(1S)-3-phenylcyclohept-2-en-1-ol

C13H16O — CID 154717661

IUPAC(1S)-3-phenylcyclohept-2-en-1-ol
SMILESO[C@@H]1C=C(c2ccccc2)CCCC1
InChIInChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,10,13-14H,4-5,8-9H2/t13-/m0/s1
InChIKeyUQBLJYWEOAYGGR-ZDUSSCGKSA-N
MW188.27 g/mol
LogP3.00
Rot. Bonds1

About (1S)-3-phenylcyclohept-2-en-1-ol

(1S)-3-phenylcyclohept-2-en-1-ol (PubChem CID 154717661) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S)-3-phenylcyclohept-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-phenylcyclohept-2-en-1-ol
PubChem CID154717661
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S)-3-phenylcyclohept-2-en-1-ol
SMILESO[C@@H]1C=C(c2ccccc2)CCCC1
InChIInChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,10,13-14H,4-5,8-9H2/t13-/m0/s1
InChIKeyUQBLJYWEOAYGGR-ZDUSSCGKSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-phenylcyclohept-2-en-1-ol?
The IUPAC name of (1S)-3-phenylcyclohept-2-en-1-ol (CID 154717661) is (1S)-3-phenylcyclohept-2-en-1-ol.
What is the SMILES notation for (1S)-3-phenylcyclohept-2-en-1-ol?
The canonical SMILES for (1S)-3-phenylcyclohept-2-en-1-ol is O[C@@H]1C=C(c2ccccc2)CCCC1.
What is the InChIKey of (1S)-3-phenylcyclohept-2-en-1-ol?
The InChIKey is UQBLJYWEOAYGGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16O/c14-13-9-5-4-8-12(10-13)11-6-2-1-3-7-11/h1-3,6-7,10,13-14H,4-5,8-9H2/t13-/m0/s1.
What are the key properties of (1S)-3-phenylcyclohept-2-en-1-ol?
(1S)-3-phenylcyclohept-2-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-phenylcyclohept-2-en-1-ol is sourced from PubChem (CID 154717661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).