(3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone

C34H34O2 — CID 24806344

IUPAC(3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)C2CC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C34H34O2/c1-2-3-4-13-24-36-29-22-20-26(21-23-29)33(35)31-25-34(27-14-7-5-8-15-27,28-16-9-6-10-17-28)32-19-12-11-18-30(31)32/h5-12,14-23,31H,2-4,13,24-25H2,1H3
InChIKeyVNVGQXUVXJLHPS-UHFFFAOYSA-N
MW474.64 g/mol
LogP8.35
Rot. Bonds10

About (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone

(3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone (PubChem CID 24806344) has the molecular formula C34H34O2 and a molecular weight of 474.64 g/mol. Its IUPAC name is (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone.

Molecular Properties

Compound Name(3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone
PubChem CID24806344
Molecular FormulaC34H34O2
Molecular Weight474.64 g/mol
Exact Mass474.26
IUPAC Name(3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone
SMILESCCCCCCOc1ccc(C(=O)C2CC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C34H34O2/c1-2-3-4-13-24-36-29-22-20-26(21-23-29)33(35)31-25-34(27-14-7-5-8-15-27,28-16-9-6-10-17-28)32-19-12-11-18-30(31)32/h5-12,14-23,31H,2-4,13,24-25H2,1H3
InChIKeyVNVGQXUVXJLHPS-UHFFFAOYSA-N
XLogP8.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.64
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-hexadecoxybenzenecarbothioic S-acid
CID 54096930
4-hexoxybenzenecarbothioic S-acid
CID 54321336
ethane;4-octoxybenzoic acid
CID 144740890
4-octoxybenzenecarbothioic S-acid
CID 54199647
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
4-[2-(4-octoxyphenyl)phenyl]benzoic acid
CID 131719004
2,2-dimethyl-1-(4-pentadecoxyphenyl)propan-1-one
CID 59409741
pentoxybenzene;undecane
CID 174778179
(4-hexoxybenzoyl) 4-hexoxybenzoate
CID 71407529
phenyl 4-(4-undecoxyphenyl)benzoate
CID 23178776
(4-phenylphenyl) 4-nonoxybenzoate
CID 71386628
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]-3-phenyl-2,3-dihydroinden-1-yl]phenoxy]ethanol
CID 135321875

Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone?
The IUPAC name of (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone (CID 24806344) is (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone.
What is the SMILES notation for (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone?
The canonical SMILES for (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone is CCCCCCOc1ccc(C(=O)C2CC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone?
The InChIKey is VNVGQXUVXJLHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O2/c1-2-3-4-13-24-36-29-22-20-26(21-23-29)33(35)31-25-34(27-14-7-5-8-15-27,28-16-9-6-10-17-28)32-19-12-11-18-30(31)32/h5-12,14-23,31H,2-4,13,24-25H2,1H3.
What are the key properties of (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone?
(3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone has a molecular weight of 474.64 g/mol, XLogP of 8.35, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyl-1,2-dihydroinden-1-yl)-(4-hexoxyphenyl)methanone is sourced from PubChem (CID 24806344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).