2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene

C18H19ClO — CID 178009637

IUPAC2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(C)cc(OC)c(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H19ClO/c1-11(2)17-12(3)9-16(20-5)18(13(17)4)14-7-6-8-15(19)10-14/h6-10H,1H2,2-5H3
InChIKeyQENZAALUJAYXAX-UHFFFAOYSA-N
MW286.80 g/mol
LogP5.67
Rot. Bonds3

About 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene

2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene (PubChem CID 178009637) has the molecular formula C18H19ClO and a molecular weight of 286.80 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene
PubChem CID178009637
Molecular FormulaC18H19ClO
Molecular Weight286.80 g/mol
Exact Mass286.11
IUPAC Name2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(C)cc(OC)c(-c2cccc(Cl)c2)c1C
InChIInChI=1S/C18H19ClO/c1-11(2)17-12(3)9-16(20-5)18(13(17)4)14-7-6-8-15(19)10-14/h6-10H,1H2,2-5H3
InChIKeyQENZAALUJAYXAX-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.80
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-chlorophenyl)-1-fluoro-3-methoxy-2-methylbenzene
CID 123222011
4-(3-chlorophenyl)-2-methoxyaniline
CID 164513717
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
3-(2,6-dimethoxy-4-methylphenyl)benzoyl chloride
CID 58299502
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
CID 139733778
6-chloro-2-(3-chlorophenyl)-3-methoxypyridine
CID 174463483
3,5-dimethoxy-4-(3-methylphenyl)benzaldehyde
CID 87212227
1,3-dichloro-2-(3-methoxy-4-methylphenyl)benzene
CID 119003875
methyl 3-(3-chlorophenyl)-5,6-dimethoxy-1H-indole-2-carboxylate
CID 11573768
5-(2,6-dimethoxyphenyl)-2-methylbenzoic acid
CID 116810848
4-(3-chlorophenyl)-1-ethynyl-2-methoxybenzene
CID 146034914

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene?
The IUPAC name of 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene (CID 178009637) is 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene is C=C(C)c1c(C)cc(OC)c(-c2cccc(Cl)c2)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene?
The InChIKey is QENZAALUJAYXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO/c1-11(2)17-12(3)9-16(20-5)18(13(17)4)14-7-6-8-15(19)10-14/h6-10H,1H2,2-5H3.
What are the key properties of 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene?
2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene has a molecular weight of 286.80 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-methoxy-3,5-dimethyl-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 178009637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).