1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene

C16H15ClO — CID 54606183

IUPAC1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene
SMILESCc1ccc(OC/C=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO/c1-13-7-9-16(10-8-13)18-11-3-5-14-4-2-6-15(17)12-14/h2-10,12H,11H2,1H3/b5-3-
InChIKeyKLCQLXIKNLXHFT-HYXAFXHYSA-N
MW258.75 g/mol
LogP4.74
Rot. Bonds4

About 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene

1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene (PubChem CID 54606183) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene
PubChem CID54606183
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene
SMILESCc1ccc(OC/C=C\c2cccc(Cl)c2)cc1
InChIInChI=1S/C16H15ClO/c1-13-7-9-16(10-8-13)18-11-3-5-14-4-2-6-15(17)12-14/h2-10,12H,11H2,1H3/b5-3-
InChIKeyKLCQLXIKNLXHFT-HYXAFXHYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(E)-3-(3-chlorophenyl)prop-2-enyl] 2-methylpropanoate
CID 168834310
tert-butyl-[3-(3-chlorophenyl)prop-2-enoxy]-dimethylsilane
CID 67464197
ethyl 4-(3-chlorophenyl)but-3-enoate
CID 170795542
(2E)-2-[(E)-3-(3-chlorophenyl)prop-2-enoxy]iminopropanoic acid
CID 13041001
2-[3-(3-chlorophenyl)prop-2-enoxyimino]propanoic acid
CID 54154875
1-methyl-4-[(E)-3-(4-nitrophenyl)prop-2-enoxy]benzene
CID 6377413
(Z)-4-(3-chlorophenyl)but-3-en-1-amine
CID 58679830
6-methyl-4-(3-phenylprop-2-enoxy)pyran-2-one
CID 54300411
1-(3-chlorophenyl)-2-(4-methylphenoxy)ethanamine
CID 117242744
(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide
CID 90395264
N-methyl-4-(4-methylphenoxy)but-2-en-1-amine
CID 171158072
1-methyl-4-[(E)-3-methylsulfanylprop-2-enoxy]benzene
CID 142045717

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene?
The IUPAC name of 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene (CID 54606183) is 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene?
The canonical SMILES for 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene is Cc1ccc(OC/C=C\c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene?
The InChIKey is KLCQLXIKNLXHFT-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-13-7-9-16(10-8-13)18-11-3-5-14-4-2-6-15(17)12-14/h2-10,12H,11H2,1H3/b5-3-.
What are the key properties of 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene?
1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene has a molecular weight of 258.75 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene is sourced from PubChem (CID 54606183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).