(3,6-dimethoxy-2-propan-2-ylphenyl)methanol

C12H18O3 — CID 84677821

IUPAC(3,6-dimethoxy-2-propan-2-ylphenyl)methanol
SMILESCOc1ccc(OC)c(C(C)C)c1CO
InChIInChI=1S/C12H18O3/c1-8(2)12-9(7-13)10(14-3)5-6-11(12)15-4/h5-6,8,13H,7H2,1-4H3
InChIKeyCWXZOANGUSLWTP-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.32
Rot. Bonds4

About (3,6-dimethoxy-2-propan-2-ylphenyl)methanol

(3,6-dimethoxy-2-propan-2-ylphenyl)methanol (PubChem CID 84677821) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3,6-dimethoxy-2-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(3,6-dimethoxy-2-propan-2-ylphenyl)methanol
PubChem CID84677821
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3,6-dimethoxy-2-propan-2-ylphenyl)methanol
SMILESCOc1ccc(OC)c(C(C)C)c1CO
InChIInChI=1S/C12H18O3/c1-8(2)12-9(7-13)10(14-3)5-6-11(12)15-4/h5-6,8,13H,7H2,1-4H3
InChIKeyCWXZOANGUSLWTP-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3,6-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421664
(2,3-dimethoxy-6-propan-2-ylphenyl)methanol
CID 84677822
2-(hydroxymethyl)-6-methoxy-3-propan-2-ylphenol
CID 84666960
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
(2-methoxy-6-sulfanylphenyl)methanol
CID 130129836
(2,3-dichloro-6-methoxyphenyl)methanol
CID 130133361
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
bis(1,3-dimethoxy-2-propan-2-ylbenzene);2-phosphanylethylphosphane
CID 142028900
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanol
CID 84674437
2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
CID 117286277

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethoxy-2-propan-2-ylphenyl)methanol?
The IUPAC name of (3,6-dimethoxy-2-propan-2-ylphenyl)methanol (CID 84677821) is (3,6-dimethoxy-2-propan-2-ylphenyl)methanol.
What is the SMILES notation for (3,6-dimethoxy-2-propan-2-ylphenyl)methanol?
The canonical SMILES for (3,6-dimethoxy-2-propan-2-ylphenyl)methanol is COc1ccc(OC)c(C(C)C)c1CO.
What is the InChIKey of (3,6-dimethoxy-2-propan-2-ylphenyl)methanol?
The InChIKey is CWXZOANGUSLWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(2)12-9(7-13)10(14-3)5-6-11(12)15-4/h5-6,8,13H,7H2,1-4H3.
What are the key properties of (3,6-dimethoxy-2-propan-2-ylphenyl)methanol?
(3,6-dimethoxy-2-propan-2-ylphenyl)methanol has a molecular weight of 210.27 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethoxy-2-propan-2-ylphenyl)methanol is sourced from PubChem (CID 84677821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).