2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol

C24H23ClO2 — CID 3036505

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IUPAC2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol
SMILESOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChIKeyLUMKNAVTFCDUIE-VHXPQNKSSA-N
MW378.90 g/mol
LogP5.65
Rot. Bonds8

About 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol

2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol (PubChem CID 3036505) has the molecular formula C24H23ClO2 and a molecular weight of 378.90 g/mol. Its IUPAC name is 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol
PubChem CID3036505
Molecular FormulaC24H23ClO2
Molecular Weight378.90 g/mol
Exact Mass378.14
IUPAC Name2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol
SMILESOCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-
InChIKeyLUMKNAVTFCDUIE-VHXPQNKSSA-N
XLogP5.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.90
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chlorotrianisene
CID 11289
4-Nonylphenol diethoxylate
CID 24773
Bisphenol A bis(2-hydroxypropyl) ether
CID 8306
2-(p-Nonylphenoxy)ethanol
CID 7700
3-(4-(1-(4-(3-Chloro-2-hydroxypropoxy)phenyl)-1-methylethyl)phenoxy)-1,2-propanediol
CID 4166922
Octaethylene glycol mono(p-nonylphenyl) ether
CID 72384
20-(4-Nonylphenoxy)-3,6,9,12,15,18-hexaoxaeicosan-1-ol
CID 119758
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
Ethanol, 2-[2-[2-[2-(4-nonylphenoxy)ethoxy]ethoxy]ethoxy]-
CID 81745
2-((1,1'-Biphenyl)-2-yloxy)ethanol
CID 24127
1,1'-(Chlorophenylmethylene)bis(4-methoxybenzene)
CID 96831
Bisphenol A bis(3-chloro-2-hydroxypropyl) ether
CID 3479589

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol (CID 3036505) is 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol is OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol?
The InChIKey is LUMKNAVTFCDUIE-VHXPQNKSSA-N. The full InChI is InChI=1S/C24H23ClO2/c25-16-15-23(19-7-3-1-4-8-19)24(20-9-5-2-6-10-20)21-11-13-22(14-12-21)27-18-17-26/h1-14,26H,15-18H2/b24-23-.
What are the key properties of 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol?
2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol has a molecular weight of 378.90 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-4-chloro-1,2-diphenylbut-1-enyl]phenoxy]ethanol is sourced from PubChem (CID 3036505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).