1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene

C17H19ClO — CID 143373056

IUPAC1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene
SMILESCCCO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO/c1-2-12-19-17(13-14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,2,12-13H2,1H3/t17-/m0/s1
InChIKeyPYWMCTUPZPGKKP-KRWDZBQOSA-N
MW274.79 g/mol
LogP5.05
Rot. Bonds6

About 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene

1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene (PubChem CID 143373056) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene
PubChem CID143373056
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene
SMILESCCCO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19ClO/c1-2-12-19-17(13-14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,2,12-13H2,1H3/t17-/m0/s1
InChIKeyPYWMCTUPZPGKKP-KRWDZBQOSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.79
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine
CID 55036697
1-(1-butoxybutyl)-4-chlorobenzene
CID 56977636
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-(4-chlorophenyl)-2-phenylmethoxyethanol
CID 15497795
(2-ethoxy-1-propoxyethyl)benzene
CID 54522303
1-(2-bromo-1-octoxyethyl)-4-chlorobenzene
CID 63474414
1-chloro-4-(1-hexoxy-2-iodoethyl)benzene
CID 114773526
2-amino-1-(4-chlorophenyl)-3-phenylpropan-1-ol
CID 55111786
2-(4-chlorophenyl)-N-methyl-3-phenylpropan-1-amine
CID 79441799
N-[1-(4-chlorophenyl)-2-phenylethoxy]-8-methyl-8-azabicyclo[3.2.1]octan-3-imine
CID 46881703
2,2-di(undecoxy)ethylbenzene
CID 3023162
1-(1-bromo-3-phenylpropan-2-yl)-4-chlorobenzene
CID 79434100

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene?
The IUPAC name of 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene (CID 143373056) is 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene?
The canonical SMILES for 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene is CCCO[C@@H](Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene?
The InChIKey is PYWMCTUPZPGKKP-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19ClO/c1-2-12-19-17(13-14-6-4-3-5-7-14)15-8-10-16(18)11-9-15/h3-11,17H,2,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene?
1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene has a molecular weight of 274.79 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1S)-2-phenyl-1-propoxyethyl]benzene is sourced from PubChem (CID 143373056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).