2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol

C18H26O — CID 115806114

IUPAC2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc3c(c2)CCC3)CC1C
InChIInChI=1S/C18H26O/c1-12-6-7-16(10-13(12)2)18(19)17-9-8-14-4-3-5-15(14)11-17/h8-9,11-13,16,18-19H,3-7,10H2,1-2H3
InChIKeyBZXZZKCOPULHBF-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.28
Rot. Bonds2

About 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol

2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol (PubChem CID 115806114) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol
PubChem CID115806114
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2ccc3c(c2)CCC3)CC1C
InChIInChI=1S/C18H26O/c1-12-6-7-16(10-13(12)2)18(19)17-9-8-14-4-3-5-15(14)11-17/h8-9,11-13,16,18-19H,3-7,10H2,1-2H3
InChIKeyBZXZZKCOPULHBF-UHFFFAOYSA-N
XLogP4.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol (CID 115806114) is 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol is CC1CCC(C(O)c2ccc3c(c2)CCC3)CC1C.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is BZXZZKCOPULHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-12-6-7-16(10-13(12)2)18(19)17-9-8-14-4-3-5-15(14)11-17/h8-9,11-13,16,18-19H,3-7,10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol?
2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol has a molecular weight of 258.40 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 115806114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).