1-(4-chloro-2-methoxyphenyl)propan-1-ol

C10H13ClO2 — CID 115787726

IUPAC1-(4-chloro-2-methoxyphenyl)propan-1-ol
SMILESCCC(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C10H13ClO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9,12H,3H2,1-2H3
InChIKeyKCDVLVAVSZNTTH-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-chloro-2-methoxyphenyl)propan-1-ol

1-(4-chloro-2-methoxyphenyl)propan-1-ol (PubChem CID 115787726) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 1-(4-chloro-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2-methoxyphenyl)propan-1-ol
PubChem CID115787726
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name1-(4-chloro-2-methoxyphenyl)propan-1-ol
SMILESCCC(O)c1ccc(Cl)cc1OC
InChIInChI=1S/C10H13ClO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9,12H,3H2,1-2H3
InChIKeyKCDVLVAVSZNTTH-UHFFFAOYSA-N
XLogP2.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 106820012
(3S)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 96804173
1-(4-chloro-2-methoxyphenyl)-2-phenylethanol
CID 63017540
1-(4-chloro-2-methoxyphenyl)-3-methylhexan-1-ol
CID 115788971
2-(aminomethyl)-1-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 65188070
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032
1-(4-chloro-2-methoxyphenyl)-3-phenylpropan-1-ol
CID 114978934
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
1-(4-chloro-2-methoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 105013762
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 63426444
1-(4-chloro-2-methoxyphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 115803420

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-chloro-2-methoxyphenyl)propan-1-ol (CID 115787726) is 1-(4-chloro-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-2-methoxyphenyl)propan-1-ol is CCC(O)c1ccc(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2-methoxyphenyl)propan-1-ol?
The InChIKey is KCDVLVAVSZNTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,9,12H,3H2,1-2H3.
What are the key properties of 1-(4-chloro-2-methoxyphenyl)propan-1-ol?
1-(4-chloro-2-methoxyphenyl)propan-1-ol has a molecular weight of 200.66 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 115787726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).