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

C16H17ClO — CID 132540002

IUPAC1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
SMILESCOC(C)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClO/c1-16(18-2,14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13/h3-11H,12H2,1-2H3
InChIKeyNGFQAZXOBVIEBV-UHFFFAOYSA-N
MW260.76 g/mol
LogP4.44
Rot. Bonds4

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

1-chloro-4-(2-methoxy-2-phenylpropyl)benzene (PubChem CID 132540002) has the molecular formula C16H17ClO and a molecular weight of 260.76 g/mol. Its IUPAC name is 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
PubChem CID132540002
Molecular FormulaC16H17ClO
Molecular Weight260.76 g/mol
Exact Mass260.10
IUPAC Name1-chloro-4-(2-methoxy-2-phenylpropyl)benzene
SMILESCOC(C)(Cc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C16H17ClO/c1-16(18-2,14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13/h3-11H,12H2,1-2H3
InChIKeyNGFQAZXOBVIEBV-UHFFFAOYSA-N
XLogP4.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[4-(2-phenylbutan-2-yloxymethyl)phenyl]benzene
CID 59036889
(1-bromo-2-methoxypropan-2-yl)benzene
CID 14288292
(2S)-1-(4-chlorophenyl)-2-phenylbutan-2-ol
CID 93325474
3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 105468174
2-[4-(4-chlorophenoxy)phenoxy]-2-phenylpropan-1-ol
CID 21408011
2-[(4-chlorophenyl)methyl]-2-phenylbutan-1-amine
CID 55106585
3-(4-chlorophenyl)-2,2-diphenylpropanenitrile
CID 2442406
N-benzyl-1-(4-chlorophenyl)-2-methylpropan-2-amine
CID 134123288
tris(1,2-diphenylpropan-2-yl) phosphate
CID 139725545
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
1-chloro-4-(4,4,5,5,5-pentafluoro-2-methoxypentan-2-yl)benzene
CID 156764476
(2-methoxy-2-methylpropyl)benzene
CID 3842751

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene?
The IUPAC name of 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene (CID 132540002) is 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene.
What is the SMILES notation for 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene?
The canonical SMILES for 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene is COC(C)(Cc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene?
The InChIKey is NGFQAZXOBVIEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClO/c1-16(18-2,14-6-4-3-5-7-14)12-13-8-10-15(17)11-9-13/h3-11H,12H2,1-2H3.
What are the key properties of 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene?
1-chloro-4-(2-methoxy-2-phenylpropyl)benzene has a molecular weight of 260.76 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-methoxy-2-phenylpropyl)benzene is sourced from PubChem (CID 132540002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).