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

C10H13ClO2 — CID 105453227

IUPAC3-(2-chlorophenyl)-3-methoxypropan-1-ol
SMILESCOC(CCO)c1ccccc1Cl
InChIInChI=1S/C10H13ClO2/c1-13-10(6-7-12)8-4-2-3-5-9(8)11/h2-5,10,12H,6-7H2,1H3
InChIKeyMGXKWLGZSZXLGR-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.41
Rot. Bonds4

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

3-(2-chlorophenyl)-3-methoxypropan-1-ol (PubChem CID 105453227) has the molecular formula C10H13ClO2 and a molecular weight of 200.67 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name3-(2-chlorophenyl)-3-methoxypropan-1-ol
PubChem CID105453227
Molecular FormulaC10H13ClO2
Molecular Weight200.67 g/mol
Exact Mass200.06
IUPAC Name3-(2-chlorophenyl)-3-methoxypropan-1-ol
SMILESCOC(CCO)c1ccccc1Cl
InChIInChI=1S/C10H13ClO2/c1-13-10(6-7-12)8-4-2-3-5-9(8)11/h2-5,10,12H,6-7H2,1H3
InChIKeyMGXKWLGZSZXLGR-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-4-methylpentan-1-ol
CID 82078258
N-[2-(2-chlorophenyl)-2-methoxyethyl]propan-2-amine
CID 62107818
3-(2-chlorophenyl)-3-(dimethylamino)propan-1-ol
CID 83924215
4-(2-chlorophenyl)-4-(2-hydroxypropan-2-yloxy)butan-1-ol
CID 123599265
N-[2-(2-chlorophenyl)-2-methoxyethyl]propanamide
CID 90623661
3-[1-(2-chlorophenyl)ethylamino]-4-methylpentan-1-ol
CID 113250283
N-[2-(2-chlorophenyl)-2-methoxyethyl]-3,3-diphenylpropanamide
CID 121145441
N-[2-(2-chlorophenyl)-2-methoxyethyl]-4,4,4-trifluorobutanamide
CID 90623820
1-(2-chlorophenyl)-1-methoxybutan-2-one
CID 83226542
3-methoxy-3-naphthalen-2-ylpropan-1-ol
CID 101246159
N-[2-(2-chlorophenyl)-2-methoxyethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 90623769
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-3-methoxypropan-1-ol?
The IUPAC name of 3-(2-chlorophenyl)-3-methoxypropan-1-ol (CID 105453227) is 3-(2-chlorophenyl)-3-methoxypropan-1-ol.
What is the SMILES notation for 3-(2-chlorophenyl)-3-methoxypropan-1-ol?
The canonical SMILES for 3-(2-chlorophenyl)-3-methoxypropan-1-ol is COC(CCO)c1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-3-methoxypropan-1-ol?
The InChIKey is MGXKWLGZSZXLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-13-10(6-7-12)8-4-2-3-5-9(8)11/h2-5,10,12H,6-7H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-3-methoxypropan-1-ol?
3-(2-chlorophenyl)-3-methoxypropan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 105453227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).