1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene

C17H19ClO — CID 125465261

IUPAC1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene
SMILESCc1cccc(C[C@@H](Cl)COCc2ccccc2)c1
InChIInChI=1S/C17H19ClO/c1-14-6-5-9-16(10-14)11-17(18)13-19-12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyDOHPFJOHFBCCJP-QGZVFWFLSA-N
MW274.79 g/mol
LogP4.36
Rot. Bonds6

About 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene

1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene (PubChem CID 125465261) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene
PubChem CID125465261
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene
SMILESCc1cccc(C[C@@H](Cl)COCc2ccccc2)c1
InChIInChI=1S/C17H19ClO/c1-14-6-5-9-16(10-14)11-17(18)13-19-12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1
InChIKeyDOHPFJOHFBCCJP-QGZVFWFLSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.36
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-(2-chlorobutyl)-3-methylbenzene
CID 63016853
1-methyl-3-[(3-methylphenyl)methoxymethyl]benzene
CID 15640186
(2S)-1-[(3-methylphenyl)methoxy]butan-2-amine
CID 97057916
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
1-(3-methylsulfonylphenyl)-3-phenylmethoxypropan-2-amine
CID 123390478
2-[(3-chlorophenyl)methyl]-3-phenylmethoxypropan-1-amine
CID 102940409
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
1-chloro-3-(2-chloro-3-phenoxypropyl)benzene
CID 14937130
(2-hydroperoxy-3-phenylmethoxypropoxy)methylbenzene
CID 12994155
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
1-(2,3-dimethyl-4-phenylmethoxybutyl)-3-(3-methylbutan-2-yloxymethyl)benzene
CID 155451219

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene?
The IUPAC name of 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene (CID 125465261) is 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene.
What is the SMILES notation for 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene?
The canonical SMILES for 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene is Cc1cccc(C[C@@H](Cl)COCc2ccccc2)c1.
What is the InChIKey of 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene?
The InChIKey is DOHPFJOHFBCCJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H19ClO/c1-14-6-5-9-16(10-14)11-17(18)13-19-12-15-7-3-2-4-8-15/h2-10,17H,11-13H2,1H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene?
1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene has a molecular weight of 274.79 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-chloro-3-phenylmethoxypropyl]-3-methylbenzene is sourced from PubChem (CID 125465261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).