1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene

C24H21ClO — CID 19793913

IUPAC1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene
SMILESClc1ccc(C2(/C=C/Cc3ccccc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C24H21ClO/c25-21-14-12-20(13-15-21)24(17-18-24)16-6-8-19-7-4-5-11-23(19)26-22-9-2-1-3-10-22/h1-7,9-16H,8,17-18H2/b16-6+
InChIKeyGYMHJAKQVZUZPD-OMCISZLKSA-N
MW360.88 g/mol
LogP6.96
Rot. Bonds6

About 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene

1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene (PubChem CID 19793913) has the molecular formula C24H21ClO and a molecular weight of 360.88 g/mol. Its IUPAC name is 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene
PubChem CID19793913
Molecular FormulaC24H21ClO
Molecular Weight360.88 g/mol
Exact Mass360.13
IUPAC Name1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene
SMILESClc1ccc(C2(/C=C/Cc3ccccc3Oc3ccccc3)CC2)cc1
InChIInChI=1S/C24H21ClO/c25-21-14-12-20(13-15-21)24(17-18-24)16-6-8-19-7-4-5-11-23(19)26-22-9-2-1-3-10-22/h1-7,9-16H,8,17-18H2/b16-6+
InChIKeyGYMHJAKQVZUZPD-OMCISZLKSA-N
XLogP6.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.88
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-chlorophenyl)cyclopropyl]-1-(3-phenoxyphenyl)prop-2-en-1-one
CID 54237286
1-chloro-4-(2-ethylphenoxy)benzene
CID 59800197
1-fluoro-4-[(Z)-2-fluoro-3-[1-(4-fluorophenyl)cyclopropyl]prop-2-enyl]-2-phenoxybenzene
CID 100977614
molecular nitrogen;1-phenoxy-2-prop-2-enylbenzene
CID 70452460
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
amino 2-[2-(4-chlorophenoxy)phenyl]acetate
CID 66824654
3-[2-(4-chlorophenoxy)phenyl]propanoic acid
CID 2764439
(2-chloro-3-phenoxyphenyl)methanol
CID 157201139
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
4-[3-[1-(4-chlorophenyl)cyclopropyl]propyl]-1-fluoro-2-phenoxybenzene
CID 21269893
(2S)-2-amino-4-[bis[[2-(4-chlorophenoxy)phenyl]methyl]amino]butanoic acid
CID 127035812
[1-amino-2-(2-phenoxyphenyl)ethylidene]azanium
CID 6347179

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene?
The IUPAC name of 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene (CID 19793913) is 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene.
What is the SMILES notation for 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene?
The canonical SMILES for 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene is Clc1ccc(C2(/C=C/Cc3ccccc3Oc3ccccc3)CC2)cc1.
What is the InChIKey of 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene?
The InChIKey is GYMHJAKQVZUZPD-OMCISZLKSA-N. The full InChI is InChI=1S/C24H21ClO/c25-21-14-12-20(13-15-21)24(17-18-24)16-6-8-19-7-4-5-11-23(19)26-22-9-2-1-3-10-22/h1-7,9-16H,8,17-18H2/b16-6+.
What are the key properties of 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene?
1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene has a molecular weight of 360.88 g/mol, XLogP of 6.96, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[1-[(E)-3-(2-phenoxyphenyl)prop-1-enyl]cyclopropyl]benzene is sourced from PubChem (CID 19793913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).