4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene

C26H25ClO2 — CID 70076005

IUPAC4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
SMILESCOc1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C26H25ClO2/c1-28-25-16-13-21(18-26(25)29-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-14-22(27)15-12-19/h2-4,7-8,11-18,23H,5-6,9-10H2,1H3/b24-17+
InChIKeyYKOCSPBPWHQZOG-JJIBRWJFSA-N
MW404.94 g/mol
LogP7.26
Rot. Bonds6

About 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene

4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene (PubChem CID 70076005) has the molecular formula C26H25ClO2 and a molecular weight of 404.94 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
PubChem CID70076005
Molecular FormulaC26H25ClO2
Molecular Weight404.94 g/mol
Exact Mass404.15
IUPAC Name4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene
SMILESCOc1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C26H25ClO2/c1-28-25-16-13-21(18-26(25)29-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-14-22(27)15-12-19/h2-4,7-8,11-18,23H,5-6,9-10H2,1H3/b24-17+
InChIKeyYKOCSPBPWHQZOG-JJIBRWJFSA-N
XLogP7.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]benzoic acid
CID 54106348
4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]pyridine
CID 54153043
3-[(E)-2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethenyl]pyridazine
CID 19959374
4-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-(3-methylphenyl)ethenyl]pyridine
CID 54319505
(Z)-3-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 67598126
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[4-(4-methylphenyl)phenyl]ethenyl]pyridine
CID 67663507
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
(NZ)-N-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 57432829
ethyl N-[4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]phenyl]carbamate
CID 54207285
1-chloro-4-(1,2-diphenylethenyl)benzene
CID 58695106
[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]-trimethylstannane
CID 70065368

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene (CID 70076005) is 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene is COc1ccc(/C(=C/c2ccc(Cl)cc2)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene?
The InChIKey is YKOCSPBPWHQZOG-JJIBRWJFSA-N. The full InChI is InChI=1S/C26H25ClO2/c1-28-25-16-13-21(18-26(25)29-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-14-22(27)15-12-19/h2-4,7-8,11-18,23H,5-6,9-10H2,1H3/b24-17+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene?
4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene has a molecular weight of 404.94 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)-1-phenylethenyl]-2-cyclopentyloxy-1-methoxybenzene is sourced from PubChem (CID 70076005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).