3-(3-chloro-5-methoxyphenyl)propan-1-ol

C10H13ClO2 — CID 117289609

IUPAC3-(3-chloro-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(Cl)cc(CCCO)c1
InChIInChI=1S/C10H13ClO2/c1-13-10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4H2,1H3
InChIKeyRAMUMGWJMSRINA-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.27
Rot. Bonds4

About 3-(3-chloro-5-methoxyphenyl)propan-1-ol

3-(3-chloro-5-methoxyphenyl)propan-1-ol (PubChem CID 117289609) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(3-chloro-5-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-5-methoxyphenyl)propan-1-ol
PubChem CID117289609
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name3-(3-chloro-5-methoxyphenyl)propan-1-ol
SMILESCOc1cc(Cl)cc(CCCO)c1
InChIInChI=1S/C10H13ClO2/c1-13-10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4H2,1H3
InChIKeyRAMUMGWJMSRINA-UHFFFAOYSA-N
XLogP2.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-5-methoxyphenyl)methanamine
CID 51063718
1-chloro-3-methoxy-5-(sulfanyloxymethyl)benzene
CID 143475817
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
CID 117305985
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
1-butyl-3,5-dimethoxybenzene
CID 524875
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
3-butyl-5-methoxyphenol
CID 12836529
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
CID 117311678
2-(3,5-dimethoxyphenyl)ethyl-trimethoxysilane
CID 59566880
2-(3-methoxy-5-propan-2-ylphenyl)ethanol
CID 71373713
3-[3-(4-methoxyphenyl)phenyl]propan-1-ol
CID 69415328

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-5-methoxyphenyl)propan-1-ol (CID 117289609) is 3-(3-chloro-5-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-5-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-5-methoxyphenyl)propan-1-ol is COc1cc(Cl)cc(CCCO)c1.
What is the InChIKey of 3-(3-chloro-5-methoxyphenyl)propan-1-ol?
The InChIKey is RAMUMGWJMSRINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-13-10-6-8(3-2-4-12)5-9(11)7-10/h5-7,12H,2-4H2,1H3.
What are the key properties of 3-(3-chloro-5-methoxyphenyl)propan-1-ol?
3-(3-chloro-5-methoxyphenyl)propan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117289609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).