1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene

C19H20O — CID 143268091

IUPAC1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene
SMILESC=C(C)/C=C\c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C19H20O/c1-16(2)11-12-18-9-6-10-19(15-18)20-14-13-17-7-4-3-5-8-17/h3-12,15H,1,13-14H2,2H3/b12-11-
InChIKeyOSQWGMXWIAHKPJ-QXMHVHEDSA-N
MW264.37 g/mol
LogP4.90
Rot. Bonds6

About 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene

1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene (PubChem CID 143268091) has the molecular formula C19H20O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene.

Molecular Properties

Compound Name1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene
PubChem CID143268091
Molecular FormulaC19H20O
Molecular Weight264.37 g/mol
Exact Mass264.15
IUPAC Name1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene
SMILESC=C(C)/C=C\c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C19H20O/c1-16(2)11-12-18-9-6-10-19(15-18)20-14-13-17-7-4-3-5-8-17/h3-12,15H,1,13-14H2,2H3/b12-11-
InChIKeyOSQWGMXWIAHKPJ-QXMHVHEDSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-phenyl-N-[[3-(2-phenylethoxy)phenyl]carbamothioyl]prop-2-enamide
CID 17142289
3-(3-butoxyphenyl)prop-2-enoic acid
CID 54374126
2-[1-fluoro-2-[3-(2-phenylethoxy)phenyl]ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171110142
3-[4-(2-phenylethoxy)phenyl]prop-2-enoic acid
CID 4715298
(E)-3-[3-(3,3-dimethylbutoxy)phenyl]prop-2-enoic acid
CID 94208108
1,5-bis(3-butoxyphenyl)penta-1,4-dien-3-one
CID 77385934
3-(3-tridecoxyphenyl)prop-2-enoic acid
CID 139730309
3-(3-hexoxyphenyl)prop-2-enoic acid
CID 70242583
(E)-1-phenyl-3-[4-[2-(4-prop-1-en-2-ylphenoxy)ethyl]phenyl]prop-2-en-1-one
CID 22026813
dimethyl-[3-(2-phenylethoxy)phenyl]borane;methane
CID 158698082
3-(2-phenylethoxy)benzamide
CID 17135006
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611

Frequently Asked Questions

What is the IUPAC name of 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene?
The IUPAC name of 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene (CID 143268091) is 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene.
What is the SMILES notation for 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene?
The canonical SMILES for 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene is C=C(C)/C=C\c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene?
The InChIKey is OSQWGMXWIAHKPJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H20O/c1-16(2)11-12-18-9-6-10-19(15-18)20-14-13-17-7-4-3-5-8-17/h3-12,15H,1,13-14H2,2H3/b12-11-.
What are the key properties of 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene?
1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene has a molecular weight of 264.37 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1Z)-3-methylbuta-1,3-dienyl]-3-(2-phenylethoxy)benzene is sourced from PubChem (CID 143268091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).