[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol

C11H15ClO4 — CID 28898258

IUPAC[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C11H15ClO4/c1-14-3-4-16-11-9(12)5-8(7-13)6-10(11)15-2/h5-6,13H,3-4,7H2,1-2H3
InChIKeyDTHYIYUQXGDCGE-UHFFFAOYSA-N
MW246.69 g/mol
LogP1.87
Rot. Bonds6

About [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol

[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol (PubChem CID 28898258) has the molecular formula C11H15ClO4 and a molecular weight of 246.69 g/mol. Its IUPAC name is [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
PubChem CID28898258
Molecular FormulaC11H15ClO4
Molecular Weight246.69 g/mol
Exact Mass246.07
IUPAC Name[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
SMILESCOCCOc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C11H15ClO4/c1-14-3-4-16-11-9(12)5-8(7-13)6-10(11)15-2/h5-6,13H,3-4,7H2,1-2H3
InChIKeyDTHYIYUQXGDCGE-UHFFFAOYSA-N
XLogP1.87
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.69
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
N-[[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 63062852
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
[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
4-[4-(hydroxymethyl)-2,6-dimethoxyphenoxy]-2-methylbutan-2-ol
CID 79355276
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 28898320

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol?
The IUPAC name of [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol (CID 28898258) is [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol is COCCOc1c(Cl)cc(CO)cc1OC.
What is the InChIKey of [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol?
The InChIKey is DTHYIYUQXGDCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4/c1-14-3-4-16-11-9(12)5-8(7-13)6-10(11)15-2/h5-6,13H,3-4,7H2,1-2H3.
What are the key properties of [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol?
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol has a molecular weight of 246.69 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol is sourced from PubChem (CID 28898258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).