4-(4-phenylphenyl)azepan-4-ol

C18H21NO — CID 103982949

IUPAC4-(4-phenylphenyl)azepan-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCCNCC1
InChIInChI=1S/C18H21NO/c20-18(11-4-13-19-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19-20H,4,11-14H2
InChIKeyNMGDBIHVCOBVRF-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds2

About 4-(4-phenylphenyl)azepan-4-ol

4-(4-phenylphenyl)azepan-4-ol (PubChem CID 103982949) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(4-phenylphenyl)azepan-4-ol.

Molecular Properties

Compound Name4-(4-phenylphenyl)azepan-4-ol
PubChem CID103982949
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-(4-phenylphenyl)azepan-4-ol
SMILESOC1(c2ccc(-c3ccccc3)cc2)CCCNCC1
InChIInChI=1S/C18H21NO/c20-18(11-4-13-19-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19-20H,4,11-14H2
InChIKeyNMGDBIHVCOBVRF-UHFFFAOYSA-N
XLogP3.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4-phenylphenyl)azepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-4-(4-phenylphenyl)azepane
CID 103983972
4-(4-benzylphenyl)piperidin-4-ol
CID 15057300
4-(4-phenylphenyl)oxepan-4-ol
CID 65456076
azane;1-phenylcyclobutan-1-ol
CID 175547532
(3R)-3-phenylpyrrolidin-3-ol;hydrochloride
CID 154574670
3-[4-(3-methoxyphenyl)phenyl]piperidin-3-ol
CID 19424700
4-(3-methoxy-4-phenylphenyl)piperidin-4-ol
CID 139901331
1-(3-phenylphenyl)cyclobutan-1-ol
CID 174781910
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)azepan-4-ol
CID 103982844
copper;1-phenylcyclohexan-1-ol
CID 174727157
3-(4-fluorophenyl)piperidin-3-ol
CID 10198053
ethane;1-phenylcyclohexan-1-ol
CID 144640846

Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenyl)azepan-4-ol?
The IUPAC name of 4-(4-phenylphenyl)azepan-4-ol (CID 103982949) is 4-(4-phenylphenyl)azepan-4-ol.
What is the SMILES notation for 4-(4-phenylphenyl)azepan-4-ol?
The canonical SMILES for 4-(4-phenylphenyl)azepan-4-ol is OC1(c2ccc(-c3ccccc3)cc2)CCCNCC1.
What is the InChIKey of 4-(4-phenylphenyl)azepan-4-ol?
The InChIKey is NMGDBIHVCOBVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(11-4-13-19-14-12-18)17-9-7-16(8-10-17)15-5-2-1-3-6-15/h1-3,5-10,19-20H,4,11-14H2.
What are the key properties of 4-(4-phenylphenyl)azepan-4-ol?
4-(4-phenylphenyl)azepan-4-ol has a molecular weight of 267.37 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenyl)azepan-4-ol is sourced from PubChem (CID 103982949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).