6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one

C27H28O2 — CID 160878443

IUPAC6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one
SMILESO=C(CCC(O)CCC1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H28O2/c28-26(15-10-20-18-24-8-4-5-9-25(24)19-20)16-17-27(29)23-13-11-22(12-14-23)21-6-2-1-3-7-21/h1-9,11-14,20,26,28H,10,15-19H2
InChIKeyBADWDLJBIDVSHM-UHFFFAOYSA-N
MW384.52 g/mol
LogP5.87
Rot. Bonds8

About 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one

6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one (PubChem CID 160878443) has the molecular formula C27H28O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one
PubChem CID160878443
Molecular FormulaC27H28O2
Molecular Weight384.52 g/mol
Exact Mass384.21
IUPAC Name6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one
SMILESO=C(CCC(O)CCC1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H28O2/c28-26(15-10-20-18-24-8-4-5-9-25(24)19-20)16-17-27(29)23-13-11-22(12-14-23)21-6-2-1-3-7-21/h1-9,11-14,20,26,28H,10,15-19H2
InChIKeyBADWDLJBIDVSHM-UHFFFAOYSA-N
XLogP5.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.52
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one 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

(4R)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenyl]hexan-1-one
CID 146769874
(4S)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-[4-(3-oxa-9-azabicyclo[3.3.1]nonane-9-carbonyl)phenyl]hexan-1-one
CID 159255305
4-acetylbenzoic acid;(4S)-1-(4-acetylphenyl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one;(2S)-1-amino-4-(2,3-dihydro-1H-inden-2-yl)butan-2-ol;4-[(4S)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexanoyl]benzoic acid;(diiodo-λ3-iodanyl)-diiodo-λ3-iodane;methane
CID 159046772
1-(6-chloropyrimidin-4-yl)-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
CID 158232164
1-[2-[cyclopentyl(methyl)amino]-4-pyridinyl]-6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxyhexan-1-one
CID 147606318
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
1-(4-phenylphenyl)-3-sulfanylpropan-1-one
CID 116830745
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione
CID 119411621
4-hydroxy-7-[4-(hydroxymethyl)phenyl]-7-oxoheptanoic acid
CID 174407683
N-(2,3-dihydro-1H-inden-2-yl)-4-phenylbenzamide
CID 70291620
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
CID 119477041
2-hydroxy-1,5-diphenylpentane-1,5-dione
CID 14316875

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one (CID 160878443) is 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one is O=C(CCC(O)CCC1Cc2ccccc2C1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one?
The InChIKey is BADWDLJBIDVSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O2/c28-26(15-10-20-18-24-8-4-5-9-25(24)19-20)16-17-27(29)23-13-11-22(12-14-23)21-6-2-1-3-7-21/h1-9,11-14,20,26,28H,10,15-19H2.
What are the key properties of 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one?
6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one has a molecular weight of 384.52 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-yl)-4-hydroxy-1-(4-phenylphenyl)hexan-1-one is sourced from PubChem (CID 160878443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).