3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

C9H10O — CID 22102252

IUPAC3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESCc1ccc2c(c1O)CC2
InChIInChI=1S/C9H10O/c1-6-2-3-7-4-5-8(7)9(6)10/h2-3,10H,4-5H2,1H3
InChIKeyBQWFDJVSNGQHTK-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.80
Rot. Bonds

About 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol

3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (PubChem CID 22102252) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.

Molecular Properties

Compound Name3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
PubChem CID22102252
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
SMILESCc1ccc2c(c1O)CC2
InChIInChI=1S/C9H10O/c1-6-2-3-7-4-5-8(7)9(6)10/h2-3,10H,4-5H2,1H3
InChIKeyBQWFDJVSNGQHTK-UHFFFAOYSA-N
XLogP1.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-hydroxy-6-methyl-3,4-dihydro-1H-quinolin-2-one
CID 10877685
6-methyl-2,3-dihydro-1H-indol-7-ol
CID 84649314
5-iodo-2,3-dihydro-1H-inden-4-ol
CID 23031206
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946
2-methyl-9,10-dihydrophenanthrene-1,4-diol
CID 154253176
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 91587374
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 117277012
1-(5-methyl-2,3-dihydro-1H-inden-4-yl)ethanone
CID 13406383
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene;ethane
CID 91587373
2-methylbicyclo[4.2.0]octa-1,3,5-triene-3,4-diol
CID 158885304
1-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carbaldehyde
CID 13074207
5-methyl-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindol-4-ol
CID 11289669

Frequently Asked Questions

What is the IUPAC name of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The IUPAC name of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol (CID 22102252) is 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol.
What is the SMILES notation for 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The canonical SMILES for 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is Cc1ccc2c(c1O)CC2.
What is the InChIKey of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
The InChIKey is BQWFDJVSNGQHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-6-2-3-7-4-5-8(7)9(6)10/h2-3,10H,4-5H2,1H3.
What are the key properties of 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol?
3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol has a molecular weight of 134.18 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol is sourced from PubChem (CID 22102252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).