3-chloro-1-(2-methoxyphenyl)propan-1-ol

C10H13ClO2 — CID 22621589

IUPAC3-chloro-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(O)CCCl
InChIInChI=1S/C10H13ClO2/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5,9,12H,6-7H2,1H3
InChIKeyQWXWIHCAAFGDEK-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.36
Rot. Bonds4

About 3-chloro-1-(2-methoxyphenyl)propan-1-ol

3-chloro-1-(2-methoxyphenyl)propan-1-ol (PubChem CID 22621589) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 3-chloro-1-(2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-chloro-1-(2-methoxyphenyl)propan-1-ol
PubChem CID22621589
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name3-chloro-1-(2-methoxyphenyl)propan-1-ol
SMILESCOc1ccccc1C(O)CCCl
InChIInChI=1S/C10H13ClO2/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5,9,12H,6-7H2,1H3
InChIKeyQWXWIHCAAFGDEK-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-4-chloro-1-(2-methoxyphenyl)butan-1-ol
CID 94256955
3-(dimethylamino)-1-(2-methoxyphenyl)propan-1-ol
CID 69429374
3-ethoxy-1-(2-methoxyphenyl)propan-1-ol
CID 112688199
2-bromo-1-(2-methoxyphenyl)ethanol
CID 53441093
2-amino-1-(2-methoxyphenyl)ethanol;hydrochloride
CID 54593518
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
CID 97293200
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
2-chloro-1-(2-ethoxyphenyl)ethanol
CID 83001097
2-dimethoxyphosphoryl-1-(2-methoxyphenyl)ethanol
CID 117060650

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-chloro-1-(2-methoxyphenyl)propan-1-ol (CID 22621589) is 3-chloro-1-(2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-chloro-1-(2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-chloro-1-(2-methoxyphenyl)propan-1-ol is COc1ccccc1C(O)CCCl.
What is the InChIKey of 3-chloro-1-(2-methoxyphenyl)propan-1-ol?
The InChIKey is QWXWIHCAAFGDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-13-10-5-3-2-4-8(10)9(12)6-7-11/h2-5,9,12H,6-7H2,1H3.
What are the key properties of 3-chloro-1-(2-methoxyphenyl)propan-1-ol?
3-chloro-1-(2-methoxyphenyl)propan-1-ol has a molecular weight of 200.66 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 22621589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).