2-(3-phenylpent-4-enoxy)prop-2-enylbenzene

C20H22O — CID 134879445

IUPAC2-(3-phenylpent-4-enoxy)prop-2-enylbenzene
SMILESC=CC(CCOC(=C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-3-19(20-12-8-5-9-13-20)14-15-21-17(2)16-18-10-6-4-7-11-18/h3-13,19H,1-2,14-16H2
InChIKeyISBZKFKBEKUQPN-UHFFFAOYSA-N
MW278.39 g/mol
LogP5.12
Rot. Bonds8

About 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene

2-(3-phenylpent-4-enoxy)prop-2-enylbenzene (PubChem CID 134879445) has the molecular formula C20H22O and a molecular weight of 278.39 g/mol. Its IUPAC name is 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene.

Molecular Properties

Compound Name2-(3-phenylpent-4-enoxy)prop-2-enylbenzene
PubChem CID134879445
Molecular FormulaC20H22O
Molecular Weight278.39 g/mol
Exact Mass278.17
IUPAC Name2-(3-phenylpent-4-enoxy)prop-2-enylbenzene
SMILESC=CC(CCOC(=C)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O/c1-3-19(20-12-8-5-9-13-20)14-15-21-17(2)16-18-10-6-4-7-11-18/h3-13,19H,1-2,14-16H2
InChIKeyISBZKFKBEKUQPN-UHFFFAOYSA-N
XLogP5.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.39
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(3R)-3-phenylpent-4-enyl]benzene
CID 134979381
2-phenylbut-3-en-1-amine;hydrochloride
CID 23037991
benzyl N-[(3R)-3-phenylpent-4-enyl]-N-prop-2-enylcarbamate
CID 102188161
4-phenylhex-5-enoate
CID 140706037
(3S)-N-methyl-3-phenylpent-4-en-1-amine
CID 143676843
1-fluoro-4-[(3R)-5-phenylpent-1-en-3-yl]benzene
CID 134992008
6-phenyloct-7-enoic acid
CID 118941596
2-propan-2-yloxyprop-2-enylbenzene
CID 12057112
5-phenylhepta-1,6-dien-3-amine
CID 21390037
(3S)-3-phenylpent-4-enoic acid
CID 92981953
diethyl 2-(2-phenylbut-3-enyl)propanedioate
CID 102386384
carbon monoxide;(1-methoxy-3-phenylpent-4-enylidene)chromium
CID 138967855

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene?
The IUPAC name of 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene (CID 134879445) is 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene.
What is the SMILES notation for 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene?
The canonical SMILES for 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene is C=CC(CCOC(=C)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene?
The InChIKey is ISBZKFKBEKUQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O/c1-3-19(20-12-8-5-9-13-20)14-15-21-17(2)16-18-10-6-4-7-11-18/h3-13,19H,1-2,14-16H2.
What are the key properties of 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene?
2-(3-phenylpent-4-enoxy)prop-2-enylbenzene has a molecular weight of 278.39 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpent-4-enoxy)prop-2-enylbenzene is sourced from PubChem (CID 134879445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).