1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene

C27H24O2 — CID 101000722

IUPAC1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene
SMILESCOc1ccc(C(/C=C/c2cccc3ccccc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24O2/c1-28-24-15-10-22(11-16-24)27(23-12-17-25(29-2)18-13-23)19-14-21-8-5-7-20-6-3-4-9-26(20)21/h3-19,27H,1-2H3/b19-14+
InChIKeyGDCDNLGMEYIUEH-XMHGGMMESA-N
MW380.49 g/mol
LogP6.70
Rot. Bonds6

About 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene

1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene (PubChem CID 101000722) has the molecular formula C27H24O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene.

Molecular Properties

Compound Name1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene
PubChem CID101000722
Molecular FormulaC27H24O2
Molecular Weight380.49 g/mol
Exact Mass380.18
IUPAC Name1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene
SMILESCOc1ccc(C(/C=C/c2cccc3ccccc23)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H24O2/c1-28-24-15-10-22(11-16-24)27(23-12-17-25(29-2)18-13-23)19-14-21-8-5-7-20-6-3-4-9-26(20)21/h3-19,27H,1-2H3/b19-14+
InChIKeyGDCDNLGMEYIUEH-XMHGGMMESA-N
XLogP6.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (E)-2-hydroxy-4-naphthalen-1-ylbut-3-enoate
CID 101381635
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
(E)-4-naphthalen-1-ylbut-3-en-2-ol
CID 13482503
(4-propan-2-ylphenyl) (E)-3-naphthalen-1-ylprop-2-enoate
CID 6301876
N'-[2-(4-methoxyphenoxy)acetyl]-3-naphthalen-1-ylprop-2-enehydrazide
CID 4146389
1-[4-bromo-1-(4-methoxyphenyl)but-2-enyl]-4-methoxybenzene
CID 56978302
1-[(4-methoxyphenyl)-phenylmethyl]naphthalene
CID 19697043
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
2-naphthalen-1-ylethenamine
CID 69243468
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
1-(2-bromoethenyl)naphthalene
CID 71403351
2-[bis(4-methoxyphenyl)methyl]-1-[2-[bis(4-methoxyphenyl)methyl]naphthalen-1-yl]naphthalene
CID 102295404

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene?
The IUPAC name of 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene (CID 101000722) is 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene.
What is the SMILES notation for 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene?
The canonical SMILES for 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene is COc1ccc(C(/C=C/c2cccc3ccccc23)c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene?
The InChIKey is GDCDNLGMEYIUEH-XMHGGMMESA-N. The full InChI is InChI=1S/C27H24O2/c1-28-24-15-10-22(11-16-24)27(23-12-17-25(29-2)18-13-23)19-14-21-8-5-7-20-6-3-4-9-26(20)21/h3-19,27H,1-2H3/b19-14+.
What are the key properties of 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene?
1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene has a molecular weight of 380.49 g/mol, XLogP of 6.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-bis(4-methoxyphenyl)prop-1-enyl]naphthalene is sourced from PubChem (CID 101000722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).