(Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol

C17H17ClO2 — CID 46204129

IUPAC(Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)/C(Cl)=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17ClO2/c1-12-3-5-13(6-4-12)11-16(18)17(19)14-7-9-15(20-2)10-8-14/h3-11,17,19H,1-2H3/b16-11-
InChIKeyMSRYGXYLUVJVAK-WJDWOHSUSA-N
MW288.77 g/mol
LogP4.32
Rot. Bonds4

About (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol

(Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol (PubChem CID 46204129) has the molecular formula C17H17ClO2 and a molecular weight of 288.77 g/mol. Its IUPAC name is (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol
PubChem CID46204129
Molecular FormulaC17H17ClO2
Molecular Weight288.77 g/mol
Exact Mass288.09
IUPAC Name(Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol
SMILESCOc1ccc(C(O)/C(Cl)=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C17H17ClO2/c1-12-3-5-13(6-4-12)11-16(18)17(19)14-7-9-15(20-2)10-8-14/h3-11,17,19H,1-2H3/b16-11-
InChIKeyMSRYGXYLUVJVAK-WJDWOHSUSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.77
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(113C)methoxy-4-methylbenzene
CID 166176950
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-2-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-enal
CID 102460095
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
1-[bromo-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 51340411
4-[(E)-2-(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]aniline
CID 122467021
chloro-(4-methoxyphenyl)methanol
CID 130923369
(E)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-(4-methylphenyl)sulfanylbut-2-en-1-ol
CID 102074978
(2R)-2-hydroxy-2-(4-methoxyphenyl)acetic acid
CID 6951708
1-hydroxy-1-(4-methoxyphenyl)propan-2-one
CID 10080999
(Z)-but-2-ene;1-methoxy-4-methylbenzene
CID 143799535
1,4-dimethoxybenzene;ethane;methane;1,4-xylene
CID 161140185

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
The IUPAC name of (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol (CID 46204129) is (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol.
What is the SMILES notation for (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
The canonical SMILES for (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol is COc1ccc(C(O)/C(Cl)=C/c2ccc(C)cc2)cc1.
What is the InChIKey of (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
The InChIKey is MSRYGXYLUVJVAK-WJDWOHSUSA-N. The full InChI is InChI=1S/C17H17ClO2/c1-12-3-5-13(6-4-12)11-16(18)17(19)14-7-9-15(20-2)10-8-14/h3-11,17,19H,1-2H3/b16-11-.
What are the key properties of (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol?
(Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol has a molecular weight of 288.77 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-(4-methoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 46204129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).