1-hexyl-6-methoxy-2,3-dihydroinden-1-ol

C16H24O2 — CID 79375059

IUPAC1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCCCCCC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C16H24O2/c1-3-4-5-6-10-16(17)11-9-13-7-8-14(18-2)12-15(13)16/h7-8,12,17H,3-6,9-11H2,1-2H3
InChIKeyXWEBKYZCOSCAHZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.80
Rot. Bonds6

About 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol

1-hexyl-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 79375059) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID79375059
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCCCCCC1(O)CCc2ccc(OC)cc21
InChIInChI=1S/C16H24O2/c1-3-4-5-6-10-16(17)11-9-13-7-8-14(18-2)12-15(13)16/h7-8,12,17H,3-6,9-11H2,1-2H3
InChIKeyXWEBKYZCOSCAHZ-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-hexyl-6-methoxy-2,3-dihydroinden-1-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

1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374993
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371784
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
6-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]-2,3-dihydroinden-1-ol
CID 103006424
5-heptyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 65147147
1-(4-ethylcyclohexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374140
6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
CID 112642015

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol (CID 79375059) is 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol is CCCCCCC1(O)CCc2ccc(OC)cc21.
What is the InChIKey of 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is XWEBKYZCOSCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-3-4-5-6-10-16(17)11-9-13-7-8-14(18-2)12-15(13)16/h7-8,12,17H,3-6,9-11H2,1-2H3.
What are the key properties of 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol?
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79375059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).