2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene

C27H28O — CID 177417374

IUPAC2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene
SMILESC=CCC(Cc1ccc(OC)cc1)c1cc(C)ccc1C(=C)c1ccccc1
InChIInChI=1S/C27H28O/c1-5-9-24(19-22-13-15-25(28-4)16-14-22)27-18-20(2)12-17-26(27)21(3)23-10-7-6-8-11-23/h5-8,10-18,24H,1,3,9,19H2,2,4H3
InChIKeyDQTCRGCBMZXCMY-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.97
Rot. Bonds8

About 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene

2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene (PubChem CID 177417374) has the molecular formula C27H28O and a molecular weight of 368.52 g/mol. Its IUPAC name is 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene
PubChem CID177417374
Molecular FormulaC27H28O
Molecular Weight368.52 g/mol
Exact Mass368.21
IUPAC Name2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene
SMILESC=CCC(Cc1ccc(OC)cc1)c1cc(C)ccc1C(=C)c1ccccc1
InChIInChI=1S/C27H28O/c1-5-9-24(19-22-13-15-25(28-4)16-14-22)27-18-20(2)12-17-26(27)21(3)23-10-7-6-8-11-23/h5-8,10-18,24H,1,3,9,19H2,2,4H3
InChIKeyDQTCRGCBMZXCMY-UHFFFAOYSA-N
XLogP6.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methoxy-1-(1-phenylethenyl)benzene
CID 156698107
2-ethenyl-1-[1-(4-methoxyphenyl)ethenyl]-3-methylbenzene
CID 143770467
1-(4-methoxyphenyl)pent-4-en-2-amine
CID 14608550
prop-2-enyl 2-(benzhydrylideneamino)-3-(4-methoxyphenyl)propanoate
CID 101401210
1-methoxy-4-[1-(2-methylphenyl)ethenyl]benzene
CID 25187424
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
1-(2-chloro-4-methylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106863705
1-methoxy-4-[[(1R,2R,3S,4S,5R,6S)-2,4,5-tris(phenylmethoxy)-3,6-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 10604284
(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
CID 11673005
1-methoxy-4-[[(1S,2R,3R,4S,5S,6R)-2,3,6-tris(phenylmethoxy)-4,5-bis(prop-2-enoxy)cyclohexyl]oxymethyl]benzene
CID 11966709
5-methoxy-2-(1-phenylbut-3-enyl)phenol
CID 53381202
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene?
The IUPAC name of 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene (CID 177417374) is 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene.
What is the SMILES notation for 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene?
The canonical SMILES for 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene is C=CCC(Cc1ccc(OC)cc1)c1cc(C)ccc1C(=C)c1ccccc1.
What is the InChIKey of 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene?
The InChIKey is DQTCRGCBMZXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28O/c1-5-9-24(19-22-13-15-25(28-4)16-14-22)27-18-20(2)12-17-26(27)21(3)23-10-7-6-8-11-23/h5-8,10-18,24H,1,3,9,19H2,2,4H3.
What are the key properties of 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene?
2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene has a molecular weight of 368.52 g/mol, XLogP of 6.97, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxyphenyl)pent-4-en-2-yl]-4-methyl-1-(1-phenylethenyl)benzene is sourced from PubChem (CID 177417374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).