2-chloro-1-methoxy-4-(1-phenylethenyl)benzene

C15H13ClO — CID 71342253

IUPAC2-chloro-1-methoxy-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H13ClO/c1-11(12-6-4-3-5-7-12)13-8-9-15(17-2)14(16)10-13/h3-10H,1H2,2H3
InChIKeyBSCJHPJFXLEKGC-UHFFFAOYSA-N
MW244.72 g/mol
LogP4.41
Rot. Bonds3

About 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene

2-chloro-1-methoxy-4-(1-phenylethenyl)benzene (PubChem CID 71342253) has the molecular formula C15H13ClO and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene.

Molecular Properties

Compound Name2-chloro-1-methoxy-4-(1-phenylethenyl)benzene
PubChem CID71342253
Molecular FormulaC15H13ClO
Molecular Weight244.72 g/mol
Exact Mass244.07
IUPAC Name2-chloro-1-methoxy-4-(1-phenylethenyl)benzene
SMILESC=C(c1ccccc1)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C15H13ClO/c1-11(12-6-4-3-5-7-12)13-8-9-15(17-2)14(16)10-13/h3-10H,1H2,2H3
InChIKeyBSCJHPJFXLEKGC-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-methoxyphenyl)prop-2-enenitrile
CID 82075902
1-(3-chloro-4-methoxyphenyl)-2-phenylethanone
CID 18756159
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509
(Z)-2-(3-chloro-4-methoxyphenyl)-3-(2-chlorophenyl)prop-2-enoic acid
CID 83954282
methyl 4-benzoyloxy-3-chlorobenzoate
CID 47098649
1-(3-chloro-4-methoxyphenyl)-2-methylidenebutan-1-one
CID 11629961
1-(4-benzoylphenyl)-3-(3-chloro-4-methoxyphenyl)urea
CID 56695004
N'-amino-3-chloro-4-methoxybenzenecarboximidamide
CID 77052841
1-(3-chloro-4-methoxyphenyl)-3-pyridin-3-ylpropane-1,3-dione
CID 58626094
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106892546
3-chloro-4-methoxy-N-(2-phenylmethoxyethyl)benzamide
CID 100552706
4-(3-chloro-4-methoxyphenyl)-2,4-dioxobutanoic acid
CID 10422570

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene?
The IUPAC name of 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene (CID 71342253) is 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene.
What is the SMILES notation for 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene?
The canonical SMILES for 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene is C=C(c1ccccc1)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene?
The InChIKey is BSCJHPJFXLEKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO/c1-11(12-6-4-3-5-7-12)13-8-9-15(17-2)14(16)10-13/h3-10H,1H2,2H3.
What are the key properties of 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene?
2-chloro-1-methoxy-4-(1-phenylethenyl)benzene has a molecular weight of 244.72 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-methoxy-4-(1-phenylethenyl)benzene is sourced from PubChem (CID 71342253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).