1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene

C14H15Cl — CID 151274526

IUPAC1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
SMILESCCC1(c2ccc(Cl)cc2)C=CC=CC1
InChIInChI=1S/C14H15Cl/c1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h3-10H,2,11H2,1H3
InChIKeyNXBSMEXUWWGQOL-UHFFFAOYSA-N
MW218.73 g/mol
LogP4.50
Rot. Bonds2

About 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene

1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene (PubChem CID 151274526) has the molecular formula C14H15Cl and a molecular weight of 218.73 g/mol. Its IUPAC name is 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene.

Molecular Properties

Compound Name1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
PubChem CID151274526
Molecular FormulaC14H15Cl
Molecular Weight218.73 g/mol
Exact Mass218.09
IUPAC Name1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
SMILESCCC1(c2ccc(Cl)cc2)C=CC=CC1
InChIInChI=1S/C14H15Cl/c1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h3-10H,2,11H2,1H3
InChIKeyNXBSMEXUWWGQOL-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.73
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1R)-1-(4-chlorophenyl)cyclohexa-2,4-dien-1-yl]methanamine
CID 66735510
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234682
1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 150971414
(3S)-3-(4-chlorophenyl)-3-ethyl-1,2-dihydropyrrol-5-amine
CID 141332979
2-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]pyridine
CID 175315625
[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234694
2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
CID 175474100
1-(4-chlorophenyl)cyclobut-2-en-1-amine
CID 88950912
4-tert-butyl-2-(1-ethylcyclohexa-2,4-dien-1-yl)phenol
CID 175298689
1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
CID 175362823
1,3-bis[4-tert-butyl-2,6-bis[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]phenyl]imidazol-2-imine
CID 175593774

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene?
The IUPAC name of 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene (CID 151274526) is 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene.
What is the SMILES notation for 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene?
The canonical SMILES for 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene is CCC1(c2ccc(Cl)cc2)C=CC=CC1.
What is the InChIKey of 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene?
The InChIKey is NXBSMEXUWWGQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl/c1-2-14(10-4-3-5-11-14)12-6-8-13(15)9-7-12/h3-10H,2,11H2,1H3.
What are the key properties of 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene?
1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene has a molecular weight of 218.73 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene is sourced from PubChem (CID 151274526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).