1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene

C16H15ClO — CID 15417407

IUPAC1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(C)=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C16H15ClO/c1-12(13-8-10-15(18-2)11-9-13)16(17)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-12-
InChIKeyYSGGOCSLZSLUKE-VBKFSLOCSA-N
MW258.75 g/mol
LogP4.82
Rot. Bonds3

About 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene

1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene (PubChem CID 15417407) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
PubChem CID15417407
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene
SMILESCOc1ccc(/C(C)=C(\Cl)c2ccccc2)cc1
InChIInChI=1S/C16H15ClO/c1-12(13-8-10-15(18-2)11-9-13)16(17)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-12-
InChIKeyYSGGOCSLZSLUKE-VBKFSLOCSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-1-chloro-1-phenylselanylprop-1-en-2-yl]-4-methoxybenzene
CID 134920953
3-chloro-2-(4-methoxyphenyl)-3-phenylprop-2-enenitrile
CID 54029927
3-chloro-3-(4-methoxyphenyl)-2-phenylprop-2-enenitrile
CID 54258462
(E)-2-chloro-3-(4-methoxyphenyl)but-2-enenitrile
CID 6425282
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
methyl 2-benzamido-3-(4-methoxyphenyl)but-2-enoate
CID 85197685
CID 12714057
CID 12714057
[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
(4-methoxyphenyl)-phenylmethanimine
CID 10856767
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
1-methoxy-4-[(E)-2-(4-methoxyphenyl)sulfanyl-1,2-diphenylethenyl]sulfanylbenzene
CID 14909159

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene (CID 15417407) is 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene is COc1ccc(/C(C)=C(\Cl)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene?
The InChIKey is YSGGOCSLZSLUKE-VBKFSLOCSA-N. The full InChI is InChI=1S/C16H15ClO/c1-12(13-8-10-15(18-2)11-9-13)16(17)14-6-4-3-5-7-14/h3-11H,1-2H3/b16-12-.
What are the key properties of 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene?
1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene has a molecular weight of 258.75 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-chloro-1-phenylprop-1-en-2-yl]-4-methoxybenzene is sourced from PubChem (CID 15417407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).