2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol

C15H22O3 — CID 117379543

IUPAC2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)c(OC)c2c1CCCC2
InChIInChI=1S/C15H22O3/c1-15(2,16)12-9-13(17-3)10-7-5-6-8-11(10)14(12)18-4/h9,16H,5-8H2,1-4H3
InChIKeyAKXIVVQATCILGL-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.81
Rot. Bonds3

About 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol

2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol (PubChem CID 117379543) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
PubChem CID117379543
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol
SMILESCOc1cc(C(C)(C)O)c(OC)c2c1CCCC2
InChIInChI=1S/C15H22O3/c1-15(2,16)12-9-13(17-3)10-7-5-6-8-11(10)14(12)18-4/h9,16H,5-8H2,1-4H3
InChIKeyAKXIVVQATCILGL-UHFFFAOYSA-N
XLogP2.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol 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-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)propan-2-ol
CID 84685964
2-[2,5-bis(2-hydroxypropan-2-yl)-4-methoxyphenyl]propan-2-ol
CID 59095315
6-bromo-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 15354623
2-(1-hydroxy-2-methylpropan-2-yl)-4-methoxy-5,6,7,8-tetrahydronaphthalen-1-ol
CID 117379562
2-(2,5-dimethoxy-4-methylphenyl)propan-2-ol;ethane
CID 145081658
3-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2,2-dimethylpropanoic acid
CID 117472164
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 117415319
methyl 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-hydroxyacetate
CID 117449915
(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)methanol
CID 84676076
1-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-2-(methylamino)ethanol
CID 117417580
2-[5-(difluoromethyl)-2,3-dimethoxyphenyl]propan-2-ol
CID 84705649
6-(1-isocyanatocyclopentyl)-5,8-dimethoxy-1,2,3,4-tetrahydronaphthalene
CID 117485610

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
The IUPAC name of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol (CID 117379543) is 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol.
What is the SMILES notation for 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
The canonical SMILES for 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol is COc1cc(C(C)(C)O)c(OC)c2c1CCCC2.
What is the InChIKey of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
The InChIKey is AKXIVVQATCILGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-15(2,16)12-9-13(17-3)10-7-5-6-8-11(10)14(12)18-4/h9,16H,5-8H2,1-4H3.
What are the key properties of 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol?
2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol has a molecular weight of 250.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-yl)propan-2-ol is sourced from PubChem (CID 117379543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).