3-phenylcyclohept-2-en-1-ol

C13H16O — CID 15145996

IUPAC3-phenylcyclohept-2-en-1-ol
SMILESOC1C=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
InChIKeyUQBLJYWEOAYGGR-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.00
Rot. Bonds1

About 3-phenylcyclohept-2-en-1-ol

3-phenylcyclohept-2-en-1-ol (PubChem CID 15145996) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-phenylcyclohept-2-en-1-ol.

Molecular Properties

Compound Name3-phenylcyclohept-2-en-1-ol
PubChem CID15145996
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name3-phenylcyclohept-2-en-1-ol
SMILESOC1C=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
InChIKeyUQBLJYWEOAYGGR-UHFFFAOYSA-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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Related Compounds

(1S)-3-phenylcyclohept-2-en-1-ol
CID 154717661
(1R)-3-phenylcyclohept-2-en-1-ol
CID 154716148
3-[4-(trifluoromethyl)phenyl]cyclohept-2-en-1-ol
CID 107383582
3-(furan-3-yl)cyclohept-2-en-1-ol
CID 107383481
3-(2-methoxyphenyl)cyclohept-2-en-1-ol
CID 107383616
3-(3-cyclobutylphenyl)cyclopent-2-en-1-ol
CID 114606467
(3S)-3-ethyl-1-phenylcycloheptene
CID 11194995
3-(5-fluoro-3-pyridinyl)cyclohept-2-en-1-ol
CID 107383485
3-(3,5-difluorophenyl)cyclohex-2-en-1-ol
CID 65177157
3-(5-methylthiophen-2-yl)cyclohept-2-en-1-ol
CID 107383538
1,1'-biphenyl;cyclohexanol
CID 142137438
3-phenylselenonylcyclohex-2-en-1-ol
CID 135050081

Frequently Asked Questions

What is the IUPAC name of 3-phenylcyclohept-2-en-1-ol?
The IUPAC name of 3-phenylcyclohept-2-en-1-ol (CID 15145996) is 3-phenylcyclohept-2-en-1-ol.
What is the SMILES notation for 3-phenylcyclohept-2-en-1-ol?
The canonical SMILES for 3-phenylcyclohept-2-en-1-ol is OC1C=C(c2ccccc2)CCCC1.
What is the InChIKey of 3-phenylcyclohept-2-en-1-ol?
The InChIKey is UQBLJYWEOAYGGR-UHFFFAOYSA-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.
What are the key properties of 3-phenylcyclohept-2-en-1-ol?
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 3-phenylcyclohept-2-en-1-ol is sourced from PubChem (CID 15145996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).