1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol

C17H24O2 — CID 114743453

IUPAC1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(c2cccc3c2OCCC3)CC1
InChIInChI=1S/C17H24O2/c1-16(2)8-10-17(18,11-9-16)14-7-3-5-13-6-4-12-19-15(13)14/h3,5,7,18H,4,6,8-12H2,1-2H3
InChIKeyOKYMBYBDLMJSRG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.80
Rot. Bonds1

About 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol

1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 114743453) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID114743453
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(c2cccc3c2OCCC3)CC1
InChIInChI=1S/C17H24O2/c1-16(2)8-10-17(18,11-9-16)14-7-3-5-13-6-4-12-19-15(13)14/h3,5,7,18H,4,6,8-12H2,1-2H3
InChIKeyOKYMBYBDLMJSRG-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-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-(3,4-dihydro-2H-chromen-8-yl)-4-(ethylamino)cyclohexan-1-ol
CID 114747423
4-(3,4-dihydro-2H-chromen-8-yl)azepan-4-ol
CID 114743718
3-(3,4-dihydro-2H-chromen-8-yl)-1-methylpyrrolidin-3-ol
CID 114743211
1-(3,4-dihydro-2H-chromen-8-yl)-4-(propylamino)cyclohexan-1-ol
CID 114747425
4-(3,4-dihydro-2H-chromen-8-yl)-2,6-dimethyloxan-4-ol
CID 114743663
4-(3,4-dihydro-2H-chromen-8-yl)-1-ethylazepan-4-ol
CID 114743484
1-(3,4-dihydro-2H-chromen-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 114743136
1-(2,3-dihydro-1-benzofuran-7-yl)-4-propan-2-ylcyclohexan-1-ol
CID 114743207
1-(2,3-dihydro-1-benzofuran-7-yl)-4-methoxycyclohexan-1-ol
CID 114743729
1-(3,4-dihydro-2H-chromen-8-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743921
3,4-dihydro-2H-chromen-8-yl-(4,4-dimethylcyclohexyl)methanamine
CID 114745561
1-(2,3-dihydro-1-benzofuran-7-yl)-2,2-dimethylcyclohexan-1-amine
CID 114743920

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol (CID 114743453) is 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(c2cccc3c2OCCC3)CC1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is OKYMBYBDLMJSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-16(2)8-10-17(18,11-9-16)14-7-3-5-13-6-4-12-19-15(13)14/h3,5,7,18H,4,6,8-12H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol?
1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 260.38 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-8-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 114743453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).