1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone

C25H22O2 — CID 134851549

IUPAC1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone
SMILESCOc1ccc(C2=C(c3ccccc3)CCc3ccc(C(C)=O)cc32)cc1
InChIInChI=1S/C25H22O2/c1-17(26)21-9-8-19-12-15-23(18-6-4-3-5-7-18)25(24(19)16-21)20-10-13-22(27-2)14-11-20/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyBLAGSFOUQPPNSK-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.80
Rot. Bonds4

About 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone

1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone (PubChem CID 134851549) has the molecular formula C25H22O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone.

Molecular Properties

Compound Name1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone
PubChem CID134851549
Molecular FormulaC25H22O2
Molecular Weight354.45 g/mol
Exact Mass354.16
IUPAC Name1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone
SMILESCOc1ccc(C2=C(c3ccccc3)CCc3ccc(C(C)=O)cc32)cc1
InChIInChI=1S/C25H22O2/c1-17(26)21-9-8-19-12-15-23(18-6-4-3-5-7-18)25(24(19)16-21)20-10-13-22(27-2)14-11-20/h3-11,13-14,16H,12,15H2,1-2H3
InChIKeyBLAGSFOUQPPNSK-UHFFFAOYSA-N
XLogP5.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
methyl 6-(4-methoxyphenyl)-5-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]-7,8-dihydronaphthalene-2-carboxylate
CID 171637487
(7-methoxy-9,10-dihydrophenanthren-2-yl) 6-acetylnaphthalene-2-carboxylate
CID 58800525
1-[4-(5-acetyl-2-phenylphenyl)phenyl]ethanone
CID 141053686
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
1-(4-acetylphenyl)ethanone;1,2-dimethoxy-4-phenylbenzene;1-methoxy-4-(4-methoxyphenyl)benzene;1-methoxy-4-(4-methylphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 158634652
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266
(6-acetylnaphthalen-2-yl) 4-methoxybenzoate
CID 59109365
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 71817023
1-[4-(6-methoxynaphthalen-2-yl)phenyl]ethanone;1-(4-methoxyphenyl)ethanone
CID 91415101
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951

Frequently Asked Questions

What is the IUPAC name of 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone?
The IUPAC name of 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone (CID 134851549) is 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone.
What is the SMILES notation for 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone?
The canonical SMILES for 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone is COc1ccc(C2=C(c3ccccc3)CCc3ccc(C(C)=O)cc32)cc1.
What is the InChIKey of 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone?
The InChIKey is BLAGSFOUQPPNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2/c1-17(26)21-9-8-19-12-15-23(18-6-4-3-5-7-18)25(24(19)16-21)20-10-13-22(27-2)14-11-20/h3-11,13-14,16H,12,15H2,1-2H3.
What are the key properties of 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone?
1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone has a molecular weight of 354.45 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(4-methoxyphenyl)-7-phenyl-5,6-dihydronaphthalen-2-yl]ethanone is sourced from PubChem (CID 134851549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).