2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol

C11H15ClO2 — CID 117306056

IUPAC2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(C(C)(C)O)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-11(2,13)9-5-4-8(7-14-3)10(12)6-9/h4-6,13H,7H2,1-3H3
InChIKeyBIYIOLYYRDBMQH-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.71
Rot. Bonds3

About 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol

2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117306056) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117306056
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(C(C)(C)O)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-11(2,13)9-5-4-8(7-14-3)10(12)6-9/h4-6,13H,7H2,1-3H3
InChIKeyBIYIOLYYRDBMQH-UHFFFAOYSA-N
XLogP2.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3,5-dichloro-4-(methoxymethyl)phenyl]propan-2-ol
CID 540635
2-[4-fluoro-3-(methoxymethyl)phenyl]propan-2-ol
CID 117287840
2-(3-chloro-4-ethoxyphenyl)propan-2-ol
CID 116963403
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337279
3-[3-chloro-4-(methoxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117395219
2-[3,4-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]phenyl]propan-2-ol
CID 19825439
3-[3-chloro-4-(methoxymethyl)phenyl]propanoic acid
CID 117329480
2-(4-chloro-3-iodophenyl)propan-2-ol
CID 130785423
2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
CID 83893924
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
2-[5-chloro-2-(methoxymethyl)phenyl]propan-1-ol
CID 117306024
ethane;2-[4-(2-hydroxy-1-methoxypropan-2-yl)phenyl]-1-methoxypropan-2-ol
CID 156647383

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol (CID 117306056) is 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol is COCc1ccc(C(C)(C)O)cc1Cl.
What is the InChIKey of 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is BIYIOLYYRDBMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-11(2,13)9-5-4-8(7-14-3)10(12)6-9/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol?
2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 214.69 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117306056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).