1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol

C19H28O — CID 107449763

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H28O/c1-14(2)18-7-4-10-19(20,13-18)12-15-8-9-16-5-3-6-17(16)11-15/h8-9,11,14,18,20H,3-7,10,12-13H2,1-2H3
InChIKeyZEIFCPUQWLSYJB-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.30
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol

1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol (PubChem CID 107449763) has the molecular formula C19H28O and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
PubChem CID107449763
Molecular FormulaC19H28O
Molecular Weight272.43 g/mol
Exact Mass272.21
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCCC(O)(Cc2ccc3c(c2)CCC3)C1
InChIInChI=1S/C19H28O/c1-14(2)18-7-4-10-19(20,13-18)12-15-8-9-16-5-3-6-17(16)11-15/h8-9,11,14,18,20H,3-7,10,12-13H2,1-2H3
InChIKeyZEIFCPUQWLSYJB-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086277
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
1-[(2,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449843
1-[(2,4-dichlorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449760
1-(4-ethylphenyl)-3-propan-2-ylcyclohexan-1-ol
CID 107449675
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65090870
1-[1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclopropyl]ethanol
CID 106798252
1-(methylaminomethyl)-3-propan-2-ylcyclohexan-1-ol
CID 107450419
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450001
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449892
1-[(2,3-dihydro-1H-inden-5-ylmethylamino)methyl]-3-methylcyclohexan-1-ol
CID 65121119

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol (CID 107449763) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol is CC(C)C1CCCC(O)(Cc2ccc3c(c2)CCC3)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol?
The InChIKey is ZEIFCPUQWLSYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O/c1-14(2)18-7-4-10-19(20,13-18)12-15-8-9-16-5-3-6-17(16)11-15/h8-9,11,14,18,20H,3-7,10,12-13H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol has a molecular weight of 272.43 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 107449763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).