(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol

C12H14O — CID 10397277

IUPAC(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
SMILESO[C@H]1CC[C@@H]2C[C@@H]2c2ccccc21
InChIInChI=1S/C12H14O/c13-12-6-5-8-7-11(8)9-3-1-2-4-10(9)12/h1-4,8,11-13H,5-7H2/t8-,11+,12+/m1/s1
InChIKeyLXGHBMJBCFQXLP-ZHAHWJHGSA-N
MW174.24 g/mol
LogP2.62
Rot. Bonds

About (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol

(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol (PubChem CID 10397277) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol.

Molecular Properties

Compound Name(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
PubChem CID10397277
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
SMILESO[C@H]1CC[C@@H]2C[C@@H]2c2ccccc21
InChIInChI=1S/C12H14O/c13-12-6-5-8-7-11(8)9-3-1-2-4-10(9)12/h1-4,8,11-13H,5-7H2/t8-,11+,12+/m1/s1
InChIKeyLXGHBMJBCFQXLP-ZHAHWJHGSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R,4S,7R)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol
CID 130762493
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
(1S,4S)-4-ethyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 11412678
(1R,3S)-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 640582
(1S,3R)-3-amino-2,3-dihydro-1H-inden-1-ol
CID 12013036
1,2,3,4-tetrahydroquinoline-2,4-diol
CID 155578583
3-(2,3,4,5-tetrahydropyridin-2-yl)-2,3-dihydro-1H-inden-1-ol
CID 70412152
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
(1S,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 12927411
(1R,3S)-3-propan-2-yl-2,3-dihydro-1H-inden-1-ol
CID 91647488

Frequently Asked Questions

What is the IUPAC name of (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol?
The IUPAC name of (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol (CID 10397277) is (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol.
What is the SMILES notation for (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol?
The canonical SMILES for (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol is O[C@H]1CC[C@@H]2C[C@@H]2c2ccccc21.
What is the InChIKey of (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol?
The InChIKey is LXGHBMJBCFQXLP-ZHAHWJHGSA-N. The full InChI is InChI=1S/C12H14O/c13-12-6-5-8-7-11(8)9-3-1-2-4-10(9)12/h1-4,8,11-13H,5-7H2/t8-,11+,12+/m1/s1.
What are the key properties of (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol?
(2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol has a molecular weight of 174.24 g/mol, XLogP of 2.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,7S)-tricyclo[6.4.0.02,4]dodeca-1(12),8,10-trien-7-ol is sourced from PubChem (CID 10397277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).