[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol

C14H21ClO3 — CID 54958089

IUPAC[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCCC(C)(C)C
InChIInChI=1S/C14H21ClO3/c1-14(2,3)5-6-18-13-11(15)7-10(9-16)8-12(13)17-4/h7-8,16H,5-6,9H2,1-4H3
InChIKeyQOUIFSYMRUYSIZ-UHFFFAOYSA-N
MW272.77 g/mol
LogP3.66
Rot. Bonds5

About [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol

[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol (PubChem CID 54958089) has the molecular formula C14H21ClO3 and a molecular weight of 272.77 g/mol. Its IUPAC name is [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
PubChem CID54958089
Molecular FormulaC14H21ClO3
Molecular Weight272.77 g/mol
Exact Mass272.12
IUPAC Name[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
SMILESCOc1cc(CO)cc(Cl)c1OCCC(C)(C)C
InChIInChI=1S/C14H21ClO3/c1-14(2,3)5-6-18-13-11(15)7-10(9-16)8-12(13)17-4/h7-8,16H,5-6,9H2,1-4H3
InChIKeyQOUIFSYMRUYSIZ-UHFFFAOYSA-N
XLogP3.66
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol 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

[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
CID 54958038
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382
[3-chloro-4-(cyclopentylmethoxy)-5-methoxyphenyl]methanol
CID 61343380
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
CID 114459550
[3-chloro-5-methoxy-4-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]methanol
CID 114528334
4-[[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzoic acid
CID 894276

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol?
The IUPAC name of [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol (CID 54958089) is [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol.
What is the SMILES notation for [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol?
The canonical SMILES for [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol is COc1cc(CO)cc(Cl)c1OCCC(C)(C)C.
What is the InChIKey of [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol?
The InChIKey is QOUIFSYMRUYSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO3/c1-14(2,3)5-6-18-13-11(15)7-10(9-16)8-12(13)17-4/h7-8,16H,5-6,9H2,1-4H3.
What are the key properties of [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol?
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol has a molecular weight of 272.77 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol is sourced from PubChem (CID 54958089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).