[(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol

C15H18O — CID 90682923

IUPAC[(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol
SMILESCc1ccc2c(c1)/C(=C/C(C)C)C=C2CO
InChIInChI=1S/C15H18O/c1-10(2)6-12-8-13(9-16)14-5-4-11(3)7-15(12)14/h4-8,10,16H,9H2,1-3H3/b12-6+
InChIKeyRYMVRCNUFQDGOQ-WUXMJOGZSA-N
MW214.31 g/mol
LogP3.42
Rot. Bonds2

About [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol

[(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol (PubChem CID 90682923) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol.

Molecular Properties

Compound Name[(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol
PubChem CID90682923
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name[(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol
SMILESCc1ccc2c(c1)/C(=C/C(C)C)C=C2CO
InChIInChI=1S/C15H18O/c1-10(2)6-12-8-13(9-16)14-5-4-11(3)7-15(12)14/h4-8,10,16H,9H2,1-3H3/b12-6+
InChIKeyRYMVRCNUFQDGOQ-WUXMJOGZSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol?
The IUPAC name of [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol (CID 90682923) is [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol.
What is the SMILES notation for [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol?
The canonical SMILES for [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol is Cc1ccc2c(c1)/C(=C/C(C)C)C=C2CO.
What is the InChIKey of [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol?
The InChIKey is RYMVRCNUFQDGOQ-WUXMJOGZSA-N. The full InChI is InChI=1S/C15H18O/c1-10(2)6-12-8-13(9-16)14-5-4-11(3)7-15(12)14/h4-8,10,16H,9H2,1-3H3/b12-6+.
What are the key properties of [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol?
[(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol has a molecular weight of 214.31 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-5-methyl-3-(2-methylpropylidene)inden-1-yl]methanol is sourced from PubChem (CID 90682923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).