1-chloro-3-(1-methoxypropan-2-yl)benzene

C10H13ClO — CID 170008686

IUPAC1-chloro-3-(1-methoxypropan-2-yl)benzene
SMILESCOCC(C)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClO/c1-8(7-12-2)9-4-3-5-10(11)6-9/h3-6,8H,7H2,1-2H3
InChIKeyIBFSTSDGTPXGQZ-UHFFFAOYSA-N
MW184.67 g/mol
LogP3.09
Rot. Bonds3

About 1-chloro-3-(1-methoxypropan-2-yl)benzene

1-chloro-3-(1-methoxypropan-2-yl)benzene (PubChem CID 170008686) has the molecular formula C10H13ClO and a molecular weight of 184.67 g/mol. Its IUPAC name is 1-chloro-3-(1-methoxypropan-2-yl)benzene.

Molecular Properties

Compound Name1-chloro-3-(1-methoxypropan-2-yl)benzene
PubChem CID170008686
Molecular FormulaC10H13ClO
Molecular Weight184.67 g/mol
Exact Mass184.07
IUPAC Name1-chloro-3-(1-methoxypropan-2-yl)benzene
SMILESCOCC(C)c1cccc(Cl)c1
InChIInChI=1S/C10H13ClO/c1-8(7-12-2)9-4-3-5-10(11)6-9/h3-6,8H,7H2,1-2H3
InChIKeyIBFSTSDGTPXGQZ-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
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N-[(1R)-1-(3-chlorophenyl)ethyl]-3-methoxy-2-methylpropan-1-amine
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N-[2-(3-chlorophenyl)propyl]-2-methylpropan-1-amine
CID 66436956
2-chloro-1-fluoro-4-(1-methoxypropan-2-yl)benzene
CID 130178989
N-[1-(3-chlorophenyl)ethyl]-2-methoxy-1-phenylethanamine
CID 103902287
1-chloro-3-(1-methoxyethyl)benzene
CID 19931374
1-methoxypropan-2-ylbenzene;uranium
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2-N-[1-(3-chlorophenyl)ethyl]-3-methoxy-2-N-methylpropane-1,2-diamine
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(1-methoxypropan-2-yl)benzene?
The IUPAC name of 1-chloro-3-(1-methoxypropan-2-yl)benzene (CID 170008686) is 1-chloro-3-(1-methoxypropan-2-yl)benzene.
What is the SMILES notation for 1-chloro-3-(1-methoxypropan-2-yl)benzene?
The canonical SMILES for 1-chloro-3-(1-methoxypropan-2-yl)benzene is COCC(C)c1cccc(Cl)c1.
What is the InChIKey of 1-chloro-3-(1-methoxypropan-2-yl)benzene?
The InChIKey is IBFSTSDGTPXGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO/c1-8(7-12-2)9-4-3-5-10(11)6-9/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-chloro-3-(1-methoxypropan-2-yl)benzene?
1-chloro-3-(1-methoxypropan-2-yl)benzene has a molecular weight of 184.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(1-methoxypropan-2-yl)benzene is sourced from PubChem (CID 170008686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).