(3S)-3,6-dimethyl-3H-inden-1-ol

C11H12O — CID 130220220

IUPAC(3S)-3,6-dimethyl-3H-inden-1-ol
SMILESCc1ccc2c(c1)C(O)=C[C@@H]2C
InChIInChI=1S/C11H12O/c1-7-3-4-9-8(2)6-11(12)10(9)5-7/h3-6,8,12H,1-2H3/t8-/m0/s1
InChIKeyWHKKIHDPUSHDIO-QMMMGPOBSA-N
MW160.22 g/mol
LogP3.01
Rot. Bonds

About (3S)-3,6-dimethyl-3H-inden-1-ol

(3S)-3,6-dimethyl-3H-inden-1-ol (PubChem CID 130220220) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (3S)-3,6-dimethyl-3H-inden-1-ol.

Molecular Properties

Compound Name(3S)-3,6-dimethyl-3H-inden-1-ol
PubChem CID130220220
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(3S)-3,6-dimethyl-3H-inden-1-ol
SMILESCc1ccc2c(c1)C(O)=C[C@@H]2C
InChIInChI=1S/C11H12O/c1-7-3-4-9-8(2)6-11(12)10(9)5-7/h3-6,8,12H,1-2H3/t8-/m0/s1
InChIKeyWHKKIHDPUSHDIO-QMMMGPOBSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,10-dimethyltetracyclo[6.6.1.02,7.011,15]pentadeca-1(15),2(7),3,5,8,11,13-heptaene
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CID 140827349
3,5-dimethyl-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 142240358
3,6-dimethyl-3H-2-benzothiophen-1-one
CID 122484836
(1S)-5-methyl-3-phenyl-1H-inden-1-ol
CID 12071705
5-methyl-2,3-bis(4-methylphenyl)-1H-inden-1-ol
CID 134983672
hydrogen peroxide;2-(2-hydroxy-5-methylphenyl)-4-methylphenol;4-methylphenol
CID 159043640
2-(2-hydroxyphenyl)-4-methylphenol
CID 10035680
2-[2-hydroxy-3-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-5-methylphenyl]-6-[2-hydroxy-3-(2-hydroxy-5-methylphenyl)-5-methylphenyl]-4-methylphenol
CID 101179885
4,8,14-trimethyltricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 142288787
lithium;1,5-dimethyl-1H-indene;hydride
CID 175183172
3-[2-(3-carboxy-2-methylphenyl)-4-methylphenyl]-2-methylbenzoic acid
CID 157377441

Frequently Asked Questions

What is the IUPAC name of (3S)-3,6-dimethyl-3H-inden-1-ol?
The IUPAC name of (3S)-3,6-dimethyl-3H-inden-1-ol (CID 130220220) is (3S)-3,6-dimethyl-3H-inden-1-ol.
What is the SMILES notation for (3S)-3,6-dimethyl-3H-inden-1-ol?
The canonical SMILES for (3S)-3,6-dimethyl-3H-inden-1-ol is Cc1ccc2c(c1)C(O)=C[C@@H]2C.
What is the InChIKey of (3S)-3,6-dimethyl-3H-inden-1-ol?
The InChIKey is WHKKIHDPUSHDIO-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12O/c1-7-3-4-9-8(2)6-11(12)10(9)5-7/h3-6,8,12H,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-3,6-dimethyl-3H-inden-1-ol?
(3S)-3,6-dimethyl-3H-inden-1-ol has a molecular weight of 160.22 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,6-dimethyl-3H-inden-1-ol is sourced from PubChem (CID 130220220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).