(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol

C10H13ClO3 — CID 84682296

IUPAC(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
SMILESCOc1c(Cl)cc(CO)c(C)c1OC
InChIInChI=1S/C10H13ClO3/c1-6-7(5-12)4-8(11)10(14-3)9(6)13-2/h4,12H,5H2,1-3H3
InChIKeyHBVUKUZJYMWPTL-UHFFFAOYSA-N
MW216.66 g/mol
LogP2.16
Rot. Bonds3

About (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol

(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol (PubChem CID 84682296) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
PubChem CID84682296
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol
SMILESCOc1c(Cl)cc(CO)c(C)c1OC
InChIInChI=1S/C10H13ClO3/c1-6-7(5-12)4-8(11)10(14-3)9(6)13-2/h4,12H,5H2,1-3H3
InChIKeyHBVUKUZJYMWPTL-UHFFFAOYSA-N
XLogP2.16
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromo-3,4-dimethoxy-2-methylphenyl)methanol
CID 84710424
(4-chloro-2-methoxy-3,5-dimethylphenyl)methanol
CID 84669757
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638
(3-bromo-5-chloro-2,4-dimethylphenyl)methanol
CID 84803776
1-(5-chloro-2,4-dimethoxy-3-methylphenyl)-2-methylpropan-2-amine
CID 117398192
6-chloro-4-(hydroxymethyl)-2,3-dimethoxybenzaldehyde
CID 84693990
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
1-[2-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethyl]piperazine
CID 117481369

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol?
The IUPAC name of (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol (CID 84682296) is (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol.
What is the SMILES notation for (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol?
The canonical SMILES for (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol is COc1c(Cl)cc(CO)c(C)c1OC.
What is the InChIKey of (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol?
The InChIKey is HBVUKUZJYMWPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-6-7(5-12)4-8(11)10(14-3)9(6)13-2/h4,12H,5H2,1-3H3.
What are the key properties of (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol?
(5-chloro-3,4-dimethoxy-2-methylphenyl)methanol has a molecular weight of 216.66 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3,4-dimethoxy-2-methylphenyl)methanol is sourced from PubChem (CID 84682296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).