4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol

C14H21ClO2 — CID 82482793

IUPAC4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
SMILESCOc1cc(C)c(Cl)c(C)c1CCC(C)(C)O
InChIInChI=1S/C14H21ClO2/c1-9-8-12(17-5)11(10(2)13(9)15)6-7-14(3,4)16/h8,16H,6-7H2,1-5H3
InChIKeyDZIYVEOWNLWHCT-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.67
Rot. Bonds4

About 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol

4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol (PubChem CID 82482793) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
PubChem CID82482793
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
SMILESCOc1cc(C)c(Cl)c(C)c1CCC(C)(C)O
InChIInChI=1S/C14H21ClO2/c1-9-8-12(17-5)11(10(2)13(9)15)6-7-14(3,4)16/h8,16H,6-7H2,1-5H3
InChIKeyDZIYVEOWNLWHCT-UHFFFAOYSA-N
XLogP3.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-6-methoxy-2,4-dimethylphenyl)propanethioamide
CID 83938122
N'-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]ethane-1,2-diamine
CID 115195431
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethylamino]propan-2-ol
CID 112513727
ethyl N-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methyl]carbamate
CID 110782966
N-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]methanesulfonamide
CID 110789568
1-[2-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethyl]-3-propan-2-ylurea
CID 110775927
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678
3-[(3-chloro-6-methoxy-2,4-dimethylphenyl)methylamino]propanoic acid
CID 98033447
2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
CID 22754053
N'-(3-chloro-6-methoxy-2,4-dimethylphenyl)-N-methylmethanediamine
CID 115226535
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol?
The IUPAC name of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol (CID 82482793) is 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol is COc1cc(C)c(Cl)c(C)c1CCC(C)(C)O.
What is the InChIKey of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol?
The InChIKey is DZIYVEOWNLWHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c1-9-8-12(17-5)11(10(2)13(9)15)6-7-14(3,4)16/h8,16H,6-7H2,1-5H3.
What are the key properties of 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol?
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol has a molecular weight of 256.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol is sourced from PubChem (CID 82482793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).