(5-chloro-3-methoxy-2-pentoxyphenyl)methanol

C13H19ClO3 — CID 113438830

IUPAC(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
SMILESCCCCCOc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C13H19ClO3/c1-3-4-5-6-17-13-10(9-15)7-11(14)8-12(13)16-2/h7-8,15H,3-6,9H2,1-2H3
InChIKeyICLQSNJRNMAXRI-UHFFFAOYSA-N
MW258.74 g/mol
LogP3.41
Rot. Bonds7

About (5-chloro-3-methoxy-2-pentoxyphenyl)methanol

(5-chloro-3-methoxy-2-pentoxyphenyl)methanol (PubChem CID 113438830) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is (5-chloro-3-methoxy-2-pentoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
PubChem CID113438830
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name(5-chloro-3-methoxy-2-pentoxyphenyl)methanol
SMILESCCCCCOc1c(CO)cc(Cl)cc1OC
InChIInChI=1S/C13H19ClO3/c1-3-4-5-6-17-13-10(9-15)7-11(14)8-12(13)16-2/h7-8,15H,3-6,9H2,1-2H3
InChIKeyICLQSNJRNMAXRI-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5-chloro-3-methoxy-2-pentoxyphenyl)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

2-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]ethanol
CID 104666066
1-(bromomethyl)-5-chloro-2-hexoxy-3-methoxybenzene
CID 113438868
(5-chloro-2-hexoxy-3-methoxyphenyl)methanamine
CID 104664304
[5-chloro-2-(2-ethylsulfonylethoxy)-3-methoxyphenyl]methanol
CID 104666078
[5-chloro-2-(3,3-dimethylbutoxy)-3-methoxyphenyl]methanol
CID 113438836
(2-but-3-ynoxy-5-chloro-3-methoxyphenyl)methanol
CID 104665943
1-(5-chloro-2-hexoxy-3-methoxyphenyl)propan-2-amine
CID 104667028
4-[4-chloro-2-(hydroxymethyl)-6-methoxyphenoxy]-N-methylbutanamide
CID 104666048
6-[4-chloro-2-(ethylaminomethyl)-6-methoxyphenoxy]hexan-1-ol
CID 107702870
(5-chloro-3-methoxy-2-prop-2-ynoxyphenyl)methanol
CID 104666169
5-chloro-2-heptoxy-3-methoxybenzoic acid
CID 104665678
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methoxy-2-pentoxyphenyl)methanol?
The IUPAC name of (5-chloro-3-methoxy-2-pentoxyphenyl)methanol (CID 113438830) is (5-chloro-3-methoxy-2-pentoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-3-methoxy-2-pentoxyphenyl)methanol?
The canonical SMILES for (5-chloro-3-methoxy-2-pentoxyphenyl)methanol is CCCCCOc1c(CO)cc(Cl)cc1OC.
What is the InChIKey of (5-chloro-3-methoxy-2-pentoxyphenyl)methanol?
The InChIKey is ICLQSNJRNMAXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-3-4-5-6-17-13-10(9-15)7-11(14)8-12(13)16-2/h7-8,15H,3-6,9H2,1-2H3.
What are the key properties of (5-chloro-3-methoxy-2-pentoxyphenyl)methanol?
(5-chloro-3-methoxy-2-pentoxyphenyl)methanol has a molecular weight of 258.74 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methoxy-2-pentoxyphenyl)methanol is sourced from PubChem (CID 113438830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).