1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene

C25H26O2 — CID 13490178

IUPAC1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene
SMILESCOc1ccc(C(C)(C)/C=C/Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H26O2/c1-25(2,21-14-16-22(26-3)17-15-21)18-8-10-20-9-7-13-24(19-20)27-23-11-5-4-6-12-23/h4-9,11-19H,10H2,1-3H3/b18-8+
InChIKeyYNEBPLQTZFSKPD-QGMBQPNBSA-N
MW358.48 g/mol
LogP6.56
Rot. Bonds7

About 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene

1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene (PubChem CID 13490178) has the molecular formula C25H26O2 and a molecular weight of 358.48 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene
PubChem CID13490178
Molecular FormulaC25H26O2
Molecular Weight358.48 g/mol
Exact Mass358.19
IUPAC Name1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene
SMILESCOc1ccc(C(C)(C)/C=C/Cc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C25H26O2/c1-25(2,21-14-16-22(26-3)17-15-21)18-8-10-20-9-7-13-24(19-20)27-23-11-5-4-6-12-23/h4-9,11-19H,10H2,1-3H3/b18-8+
InChIKeyYNEBPLQTZFSKPD-QGMBQPNBSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]benzene
CID 3067110
1-[(E)-but-2-enyl]-3-phenoxybenzene
CID 23463492
1-pent-2-enyl-3-phenoxybenzene
CID 70370206
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
1,3-bis(4-methoxyphenoxy)benzene
CID 629519
(E)-4-(3-phenoxyphenyl)but-2-enoic acid
CID 12054491
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
1-chloro-4-[5-[3-(4-methoxyphenoxy)phenyl]-2-methylpentan-2-yl]benzene
CID 21269875
1-prop-2-enyl-3-(4-prop-2-enylphenoxy)benzene
CID 67686849
[3-(4-methoxyphenoxy)phenyl]methylhydrazine
CID 53425280
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
1-[3-methyl-6-(3-phenoxyphenyl)hex-1-en-3-yl]-4-propan-2-yloxybenzene
CID 70413302

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene (CID 13490178) is 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene is COc1ccc(C(C)(C)/C=C/Cc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene?
The InChIKey is YNEBPLQTZFSKPD-QGMBQPNBSA-N. The full InChI is InChI=1S/C25H26O2/c1-25(2,21-14-16-22(26-3)17-15-21)18-8-10-20-9-7-13-24(19-20)27-23-11-5-4-6-12-23/h4-9,11-19H,10H2,1-3H3/b18-8+.
What are the key properties of 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene?
1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene has a molecular weight of 358.48 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-2-methyl-5-(3-phenoxyphenyl)pent-3-en-2-yl]benzene is sourced from PubChem (CID 13490178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).