1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene

C17H15ClO — CID 57270189

IUPAC1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene
SMILESC=C=Cc1cccc(C(Cl)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H15ClO/c1-3-5-13-6-4-7-15(12-13)17(18)14-8-10-16(19-2)11-9-14/h4-12,17H,1H2,2H3
InChIKeyRANRNPOOBZHYQG-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.82
Rot. Bonds4

About 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene

1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene (PubChem CID 57270189) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene.

Molecular Properties

Compound Name1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene
PubChem CID57270189
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene
SMILESC=C=Cc1cccc(C(Cl)c2ccc(OC)cc2)c1
InChIInChI=1S/C17H15ClO/c1-3-5-13-6-4-7-15(12-13)17(18)14-8-10-16(19-2)11-9-14/h4-12,17H,1H2,2H3
InChIKeyRANRNPOOBZHYQG-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-[chloro-(4-methoxyphenyl)methyl]benzene
CID 61081166
4-[chloro-(4-methoxyphenyl)methyl]-1,2-dimethylbenzene
CID 63427206
2-[(3-bromophenyl)-chloromethyl]-6-methoxynaphthalene
CID 63443947
1-[chloro-(4-methoxyphenyl)methyl]-4-propan-2-yloxybenzene
CID 61085205
5-[chloro-(4-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 55158103
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313
2-(3-formylphenyl)-2-(4-methoxyphenyl)acetic acid
CID 138058935
1-phenoxy-3-propa-1,2-dienylbenzene
CID 15419608
6-[chloro-(4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61085686
1-[chloro-(4-methoxyphenyl)methyl]-4-(2-methylpropyl)benzene
CID 63431171
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
1-bromo-2-[chloro-(4-methoxyphenyl)methyl]benzene
CID 63428732

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene?
The IUPAC name of 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene (CID 57270189) is 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene.
What is the SMILES notation for 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene?
The canonical SMILES for 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene is C=C=Cc1cccc(C(Cl)c2ccc(OC)cc2)c1.
What is the InChIKey of 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene?
The InChIKey is RANRNPOOBZHYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO/c1-3-5-13-6-4-7-15(12-13)17(18)14-8-10-16(19-2)11-9-14/h4-12,17H,1H2,2H3.
What are the key properties of 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene?
1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene has a molecular weight of 270.76 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(4-methoxyphenyl)methyl]-3-propa-1,2-dienylbenzene is sourced from PubChem (CID 57270189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).