2-(4-chlorophenyl)-3-methoxypropan-1-ol

C10H13ClO2 — CID 103985044

IUPAC2-(4-chlorophenyl)-3-methoxypropan-1-ol
SMILESCOCC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2/c1-13-7-9(6-12)8-2-4-10(11)5-3-8/h2-5,9,12H,6-7H2,1H3
InChIKeyWXVPYXDQZZACQB-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.06
Rot. Bonds4

About 2-(4-chlorophenyl)-3-methoxypropan-1-ol

2-(4-chlorophenyl)-3-methoxypropan-1-ol (PubChem CID 103985044) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-methoxypropan-1-ol
PubChem CID103985044
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name2-(4-chlorophenyl)-3-methoxypropan-1-ol
SMILESCOCC(CO)c1ccc(Cl)cc1
InChIInChI=1S/C10H13ClO2/c1-13-7-9(6-12)8-2-4-10(11)5-3-8/h2-5,9,12H,6-7H2,1H3
InChIKeyWXVPYXDQZZACQB-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-(2,4-dichlorophenoxy)propan-1-ol
CID 125466536
4-[2-(4-chlorophenyl)-3-hydroxypropoxy]phenol
CID 117244973
3-amino-2-(4-chlorophenyl)propan-1-ol
CID 67926367
2-(4-chlorophenyl)-3-pyridin-3-yloxypropan-1-ol
CID 117245002
2-(4-chlorophenyl)undecan-1-ol
CID 79437648
(2S,3R)-2,3-dichloro-3-(4-chlorophenyl)propan-1-ol
CID 53356260
2-(4-chlorophenyl)-4-methoxy-N-methylbutan-1-amine
CID 79441568
2-(5-chloro-2-methoxyphenyl)propane-1,3-diol
CID 82113852
sodium;3-(4-chlorophenyl)-4-hydroxybutanoic acid;hydride
CID 132988119
1-[1-bromo-4-[2-(2-methoxyethoxy)ethoxy]butan-2-yl]-4-chlorobenzene
CID 104568762
(4-chlorophenyl)-[4-(2-methoxyethyl)phenyl]methanol
CID 55133393
2-(4-chlorophenyl)-2-hydroperoxyethanol
CID 25136213

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-methoxypropan-1-ol?
The IUPAC name of 2-(4-chlorophenyl)-3-methoxypropan-1-ol (CID 103985044) is 2-(4-chlorophenyl)-3-methoxypropan-1-ol.
What is the SMILES notation for 2-(4-chlorophenyl)-3-methoxypropan-1-ol?
The canonical SMILES for 2-(4-chlorophenyl)-3-methoxypropan-1-ol is COCC(CO)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-methoxypropan-1-ol?
The InChIKey is WXVPYXDQZZACQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-13-7-9(6-12)8-2-4-10(11)5-3-8/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-methoxypropan-1-ol?
2-(4-chlorophenyl)-3-methoxypropan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 103985044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).