1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol

C18H26O — CID 65084707

IUPAC1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H26O/c1-14-4-3-10-18(19,11-9-14)13-15-7-8-16-5-2-6-17(16)12-15/h7-8,12,14,19H,2-6,9-11,13H2,1H3
InChIKeyJBCVLJJZAXCPNE-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.05
Rot. Bonds2

About 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol

1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol (PubChem CID 65084707) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
PubChem CID65084707
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
SMILESCC1CCCC(O)(Cc2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H26O/c1-14-4-3-10-18(19,11-9-14)13-15-7-8-16-5-2-6-17(16)12-15/h7-8,12,14,19H,2-6,9-11,13H2,1H3
InChIKeyJBCVLJJZAXCPNE-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol (CID 65084707) is 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol is CC1CCCC(O)(Cc2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol?
The InChIKey is JBCVLJJZAXCPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-14-4-3-10-18(19,11-9-14)13-15-7-8-16-5-2-6-17(16)12-15/h7-8,12,14,19H,2-6,9-11,13H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol?
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol has a molecular weight of 258.40 g/mol, XLogP of 4.05, 2 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)-4-methylcycloheptan-1-ol is sourced from PubChem (CID 65084707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).