(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol

C13H19ClO3 — CID 114013408

IUPAC(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C13H19ClO3/c1-4-5-9(2)17-13-11(14)6-10(8-15)7-12(13)16-3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyJDNHYUPHVPUQGJ-UHFFFAOYSA-N
MW258.74 g/mol
LogP3.41
Rot. Bonds6

About (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol

(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol (PubChem CID 114013408) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
PubChem CID114013408
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol
SMILESCCCC(C)Oc1c(Cl)cc(CO)cc1OC
InChIInChI=1S/C13H19ClO3/c1-4-5-9(2)17-13-11(14)6-10(8-15)7-12(13)16-3/h6-7,9,15H,4-5,8H2,1-3H3
InChIKeyJDNHYUPHVPUQGJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

Analyze (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)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

N-[(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methyl]-2-methoxyethanamine
CID 107890952
(3-chloro-4-pentan-2-yloxyphenyl)methanol
CID 107892219
1-[2-chloro-4-(hydroxymethyl)-6-methoxyphenoxy]propan-2-ol
CID 60883908
1-(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)-N-methylmethanamine
CID 43276505
(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
CID 45371618
[3-chloro-4-(2,2-diethoxyethoxy)-5-methoxyphenyl]methanol
CID 114459550
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
N-[(4-butan-2-yloxy-3-chloro-5-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 63061825
(3,5-dichloro-4-propan-2-yloxyphenyl)methanol;methane
CID 158865667
(3-methoxy-2-pentan-2-yloxyphenyl)methanol
CID 107892192
N-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43213831

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol?
The IUPAC name of (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol (CID 114013408) is (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol.
What is the SMILES notation for (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol?
The canonical SMILES for (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol is CCCC(C)Oc1c(Cl)cc(CO)cc1OC.
What is the InChIKey of (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol?
The InChIKey is JDNHYUPHVPUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-4-5-9(2)17-13-11(14)6-10(8-15)7-12(13)16-3/h6-7,9,15H,4-5,8H2,1-3H3.
What are the key properties of (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol?
(3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol has a molecular weight of 258.74 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-methoxy-4-pentan-2-yloxyphenyl)methanol is sourced from PubChem (CID 114013408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).