1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol

C11H15ClO3 — CID 82268059

IUPAC1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H15ClO3/c1-4-9(13)7-5-11(15-3)8(12)6-10(7)14-2/h5-6,9,13H,4H2,1-3H3
InChIKeyJJTVQQDSWUZWKN-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.80
Rot. Bonds4

About 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol

1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol (PubChem CID 82268059) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
PubChem CID82268059
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)c(Cl)cc1OC
InChIInChI=1S/C11H15ClO3/c1-4-9(13)7-5-11(15-3)8(12)6-10(7)14-2/h5-6,9,13H,4H2,1-3H3
InChIKeyJJTVQQDSWUZWKN-UHFFFAOYSA-N
XLogP2.80
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2,5-diethoxyphenyl)propan-1-ol
CID 82268035
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508
2-amino-1-(4-chloro-2,5-dimethoxyphenyl)butane-1,4-diol
CID 83943166
2-amino-5-(4-chloro-2,5-dimethoxyphenyl)hexan-3-ol
CID 83943240
2-amino-1-(2-bromo-4-chloro-5-methoxyphenyl)ethanol
CID 84811979
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
(1R)-2-amino-1-(2,4,5-trimethoxyphenyl)ethanol
CID 28743465
5-amino-2-(5-chloro-2,4-dimethoxyphenyl)heptan-4-ol
CID 83943371
1-(4-ethoxy-3,5-dimethoxyphenyl)propan-1-ol
CID 83950833
3-(4-chloro-2,5-dimethoxyphenyl)-3-(methylamino)propan-1-ol
CID 83943179

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol (CID 82268059) is 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol is CCC(O)c1cc(OC)c(Cl)cc1OC.
What is the InChIKey of 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is JJTVQQDSWUZWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-4-9(13)7-5-11(15-3)8(12)6-10(7)14-2/h5-6,9,13H,4H2,1-3H3.
What are the key properties of 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol?
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 230.69 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 82268059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).