1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol

C12H14O — CID 130142398

IUPAC1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
SMILESOC1c2ccccc2CC2CCC21
InChIInChI=1S/C12H14O/c13-12-10-4-2-1-3-8(10)7-9-5-6-11(9)12/h1-4,9,11-13H,5-7H2
InChIKeyZIDVCICHRGWJFP-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.30
Rot. Bonds

About 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol

1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol (PubChem CID 130142398) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol.

Molecular Properties

Compound Name1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
PubChem CID130142398
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol
SMILESOC1c2ccccc2CC2CCC21
InChIInChI=1S/C12H14O/c13-12-10-4-2-1-3-8(10)7-9-5-6-11(9)12/h1-4,9,11-13H,5-7H2
InChIKeyZIDVCICHRGWJFP-UHFFFAOYSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
(2S)-2-(cyclobutylamino)-2,3-dihydro-1H-inden-1-ol
CID 58393877
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
CID 177486756
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
(1R,2S)-2-phenyl-2,3-dihydro-1H-inden-1-ol
CID 129386741
(1R,2S)-1-hydroxy-2,3-dihydro-1H-indene-2-carbonitrile
CID 23239621
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 79909534
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992

Frequently Asked Questions

What is the IUPAC name of 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol?
The IUPAC name of 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol (CID 130142398) is 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol.
What is the SMILES notation for 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol?
The canonical SMILES for 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol is OC1c2ccccc2CC2CCC21.
What is the InChIKey of 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol?
The InChIKey is ZIDVCICHRGWJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-12-10-4-2-1-3-8(10)7-9-5-6-11(9)12/h1-4,9,11-13H,5-7H2.
What are the key properties of 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol?
1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol has a molecular weight of 174.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2a,3,8,8a-hexahydrocyclobuta[b]naphthalen-3-ol is sourced from PubChem (CID 130142398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).