4-phenylcycloheptan-1-ol

C13H18O — CID 86167768

IUPAC4-phenylcycloheptan-1-ol
SMILESOC1CCCC(c2ccccc2)CC1
InChIInChI=1S/C13H18O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2
InChIKeyDZOGJMOOCHUXEI-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.10
Rot. Bonds1

About 4-phenylcycloheptan-1-ol

4-phenylcycloheptan-1-ol (PubChem CID 86167768) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 4-phenylcycloheptan-1-ol.

Molecular Properties

Compound Name4-phenylcycloheptan-1-ol
PubChem CID86167768
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name4-phenylcycloheptan-1-ol
SMILESOC1CCCC(c2ccccc2)CC1
InChIInChI=1S/C13H18O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2
InChIKeyDZOGJMOOCHUXEI-UHFFFAOYSA-N
XLogP3.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
benzene;cyclopropylbenzene
CID 144638417
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
cyclopentylbenzene;iron
CID 158512704
3-(4-cyclobutylphenyl)cyclopentan-1-ol
CID 116506811
CID 159076923
CID 159076923
1,1'-biphenyl;cyclohexylbenzene
CID 141106050
4-(4-tert-butylphenyl)cyclohexan-1-ol
CID 116963195
1-isocyanato-4-phenylpiperidine
CID 141060435
trans-(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
CID 659840
4-(4-phenylmethoxyphenyl)cyclohexan-1-ol
CID 19602799
5-phenylcyclohexane-1,3-diol
CID 14135723

Frequently Asked Questions

What is the IUPAC name of 4-phenylcycloheptan-1-ol?
The IUPAC name of 4-phenylcycloheptan-1-ol (CID 86167768) is 4-phenylcycloheptan-1-ol.
What is the SMILES notation for 4-phenylcycloheptan-1-ol?
The canonical SMILES for 4-phenylcycloheptan-1-ol is OC1CCCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenylcycloheptan-1-ol?
The InChIKey is DZOGJMOOCHUXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c14-13-8-4-7-12(9-10-13)11-5-2-1-3-6-11/h1-3,5-6,12-14H,4,7-10H2.
What are the key properties of 4-phenylcycloheptan-1-ol?
4-phenylcycloheptan-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcycloheptan-1-ol is sourced from PubChem (CID 86167768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).