1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene

C18H16O — CID 175363200

IUPAC1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene
SMILESC#CC/C=C(\c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C18H16O/c1-3-4-13-18(15-9-6-5-7-10-15)16-11-8-12-17(14-16)19-2/h1,5-14H,4H2,2H3/b18-13+
InChIKeyFDCXTTLKAZYWCB-QGOAFFKASA-N
MW248.32 g/mol
LogP4.15
Rot. Bonds4

About 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene

1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene (PubChem CID 175363200) has the molecular formula C18H16O and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene
PubChem CID175363200
Molecular FormulaC18H16O
Molecular Weight248.32 g/mol
Exact Mass248.12
IUPAC Name1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene
SMILESC#CC/C=C(\c1ccccc1)c1cccc(OC)c1
InChIInChI=1S/C18H16O/c1-3-4-13-18(15-9-6-5-7-10-15)16-11-8-12-17(14-16)19-2/h1,5-14H,4H2,2H3/b18-13+
InChIKeyFDCXTTLKAZYWCB-QGOAFFKASA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
ethyl (2E,4E)-5-(3-methoxyphenyl)-5-phenylpenta-2,4-dienoate
CID 88605067
2-[2-hydroxy-2-(3-methoxyphenyl)ethenyl]phenol
CID 141465495
3-(3-ethoxy-4-methoxyphenyl)-3-(3-methoxyphenyl)prop-2-enenitrile
CID 70680959
2-(3-methoxyphenyl)-N-methyl-N-prop-2-ynylprop-2-en-1-amine
CID 118733549
(Z)-2-(3-methoxyphenyl)but-2-enenitrile
CID 10035075
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
1-methoxy-3-[1-(3-methoxyphenyl)-2-nitroethenyl]benzene
CID 135076100
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene?
The IUPAC name of 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene (CID 175363200) is 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene.
What is the SMILES notation for 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene?
The canonical SMILES for 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene is C#CC/C=C(\c1ccccc1)c1cccc(OC)c1.
What is the InChIKey of 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene?
The InChIKey is FDCXTTLKAZYWCB-QGOAFFKASA-N. The full InChI is InChI=1S/C18H16O/c1-3-4-13-18(15-9-6-5-7-10-15)16-11-8-12-17(14-16)19-2/h1,5-14H,4H2,2H3/b18-13+.
What are the key properties of 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene?
1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene has a molecular weight of 248.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(E)-1-phenylpent-1-en-4-ynyl]benzene is sourced from PubChem (CID 175363200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).