ethane;6-methyl-7aH-inden-5-ol

C12H16O — CID 143778579

IUPACethane;6-methyl-7aH-inden-5-ol
SMILESCC.CC1=CC2C=CC=C2C=C1O
InChIInChI=1S/C10H10O.C2H6/c1-7-5-8-3-2-4-9(8)6-10(7)11;1-2/h2-6,8,11H,1H3;1-2H3
InChIKeyJEZBLKQDAZQTQK-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.53
Rot. Bonds

About ethane;6-methyl-7aH-inden-5-ol

ethane;6-methyl-7aH-inden-5-ol (PubChem CID 143778579) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;6-methyl-7aH-inden-5-ol.

Molecular Properties

Compound Nameethane;6-methyl-7aH-inden-5-ol
PubChem CID143778579
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Nameethane;6-methyl-7aH-inden-5-ol
SMILESCC.CC1=CC2C=CC=C2C=C1O
InChIInChI=1S/C10H10O.C2H6/c1-7-5-8-3-2-4-9(8)6-10(7)11;1-2/h2-6,8,11H,1H3;1-2H3
InChIKeyJEZBLKQDAZQTQK-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3aH-cyclopenta[a]naphthalene
CID 20785931
(1S,2R)-1-deuterio-6-methylcyclohexa-3,5-diene-1,2-diol
CID 100921936
ethyl 3aH-indene-2-carboxylate
CID 43811245
ethyl 9aH-benzo[7]annulene-7-carboxylate;hydrobromide
CID 87175927
6-methyl-4-(5-propan-2-ylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-dien-1-ol
CID 170388537
2-methyl-5aH-benzo[g]quinazolin-4-one
CID 76845217
dimethyl-bis(2-methyl-3aH-inden-1-yl)silane
CID 20725133
2-ethyl-3aH-indene
CID 23399067
2-cyclopenta-2,4-dien-1-yl-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 101232705
(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene
CID 143333898
7aH-cyclopenta[c]pyridine
CID 56972347
1,5-dimethyl-4aH-benzo[7]annulene
CID 91554041

Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-7aH-inden-5-ol?
The IUPAC name of ethane;6-methyl-7aH-inden-5-ol (CID 143778579) is ethane;6-methyl-7aH-inden-5-ol.
What is the SMILES notation for ethane;6-methyl-7aH-inden-5-ol?
The canonical SMILES for ethane;6-methyl-7aH-inden-5-ol is CC.CC1=CC2C=CC=C2C=C1O.
What is the InChIKey of ethane;6-methyl-7aH-inden-5-ol?
The InChIKey is JEZBLKQDAZQTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O.C2H6/c1-7-5-8-3-2-4-9(8)6-10(7)11;1-2/h2-6,8,11H,1H3;1-2H3.
What are the key properties of ethane;6-methyl-7aH-inden-5-ol?
ethane;6-methyl-7aH-inden-5-ol has a molecular weight of 176.26 g/mol, XLogP of 3.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-7aH-inden-5-ol is sourced from PubChem (CID 143778579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).