1-(3-chloro-4-methoxyphenyl)propan-1-ol

C10H13ClO2 — CID 10488276

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

About 1-(3-chloro-4-methoxyphenyl)propan-1-ol

1-(3-chloro-4-methoxyphenyl)propan-1-ol (PubChem CID 10488276) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)propan-1-ol
PubChem CID10488276
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)propan-1-ol
SMILESCCC(O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C10H13ClO2/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6,9,12H,3H2,1-2H3
InChIKeyUZGDMFFZALXBLO-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)propan-1-ol (CID 10488276) is 1-(3-chloro-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)propan-1-ol is CCC(O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)propan-1-ol?
The InChIKey is UZGDMFFZALXBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-3-9(12)7-4-5-10(13-2)8(11)6-7/h4-6,9,12H,3H2,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)propan-1-ol?
1-(3-chloro-4-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-(3-chloro-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 10488276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).