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

C13H19ClO4 — CID 113436945

IUPAC[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
SMILESCOCCCCOc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C13H19ClO4/c1-16-5-3-4-6-18-13-11(14)7-10(9-15)8-12(13)17-2/h7-8,15H,3-6,9H2,1-2H3
InChIKeyNMVUATYOPDULNV-UHFFFAOYSA-N
MW274.74 g/mol
LogP2.65
Rot. Bonds8

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

[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol (PubChem CID 113436945) has the molecular formula C13H19ClO4 and a molecular weight of 274.74 g/mol. Its IUPAC name is [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
PubChem CID113436945
Molecular FormulaC13H19ClO4
Molecular Weight274.74 g/mol
Exact Mass274.10
IUPAC Name[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
SMILESCOCCCCOc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C13H19ClO4/c1-16-5-3-4-6-18-13-11(14)7-10(9-15)8-12(13)17-2/h7-8,15H,3-6,9H2,1-2H3
InChIKeyNMVUATYOPDULNV-UHFFFAOYSA-N
XLogP2.65
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 52.65
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-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-chloro-4-(3,3-dimethylbutoxy)-5-methoxyphenyl]methanol
CID 54958089
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
[4-(2-bromoprop-2-enoxy)-3-chloro-5-methoxyphenyl]methanol
CID 60873214
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772
6-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]hexan-1-ol
CID 107702314
5-[2-chloro-6-methoxy-4-(methylaminomethyl)phenoxy]pentan-1-ol
CID 62227458
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
5-(bromomethyl)-1-chloro-2-hexoxy-3-methoxybenzene
CID 43324495
5-(bromomethyl)-1-chloro-3-methoxy-2-octoxybenzene
CID 43324494
5-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]pentanenitrile
CID 54966217
2-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]-N,N-dimethylacetamide
CID 28898382

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol?
The IUPAC name of [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol (CID 113436945) is [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol.
What is the SMILES notation for [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol?
The canonical SMILES for [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol is COCCCCOc1c(Cl)cc(CO)cc1OC.
What is the InChIKey of [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol?
The InChIKey is NMVUATYOPDULNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO4/c1-16-5-3-4-6-18-13-11(14)7-10(9-15)8-12(13)17-2/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of [3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol?
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol has a molecular weight of 274.74 g/mol, XLogP of 2.65, 8 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-(4-methoxybutoxy)phenyl]methanol is sourced from PubChem (CID 113436945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).