(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol

C20H18O2 — CID 156581883

IUPAC(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol
SMILESOc1ccc2c3c1CCCc3c1c3c(cccc32)[C@H](O)CC1
InChIInChI=1S/C20H18O2/c21-17-9-8-14-12-4-2-6-16-18(22)10-7-13(20(12)16)11-3-1-5-15(17)19(11)14/h1,3,5,7,10,17,21-22H,2,4,6,8-9H2/t17-/m1/s1
InChIKeyGVTNCLLILDBBLI-QGZVFWFLSA-N
MW290.36 g/mol
LogP4.17
Rot. Bonds

About (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol

(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol (PubChem CID 156581883) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol.

Molecular Properties

Compound Name(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol
PubChem CID156581883
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol
SMILESOc1ccc2c3c1CCCc3c1c3c(cccc32)[C@H](O)CC1
InChIInChI=1S/C20H18O2/c21-17-9-8-14-12-4-2-6-16-18(22)10-7-13(20(12)16)11-3-1-5-15(17)19(11)14/h1,3,5,7,10,17,21-22H,2,4,6,8-9H2/t17-/m1/s1
InChIKeyGVTNCLLILDBBLI-QGZVFWFLSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
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(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109
(1S)-4-(1-methoxycyclobutyl)-2,3-dihydro-1H-inden-1-ol
CID 67811616
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
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4-(1,1-difluoroethyl)-2,3-dihydro-1H-inden-1-ol
CID 123729415
(1S)-9-methyl-1,2,3,4-tetrahydrophenanthren-1-ol
CID 79014499
1-(dimethylamino)-2,3-dihydro-1H-inden-4-ol
CID 11789767
7-sulfanyl-2,3-dihydro-1H-indene-1,4-diol
CID 145171069
1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 14440163

Frequently Asked Questions

What is the IUPAC name of (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol?
The IUPAC name of (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol (CID 156581883) is (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol.
What is the SMILES notation for (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol?
The canonical SMILES for (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol is Oc1ccc2c3c1CCCc3c1c3c(cccc32)[C@H](O)CC1.
What is the InChIKey of (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol?
The InChIKey is GVTNCLLILDBBLI-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18O2/c21-17-9-8-14-12-4-2-6-16-18(22)10-7-13(20(12)16)11-3-1-5-15(17)19(11)14/h1,3,5,7,10,17,21-22H,2,4,6,8-9H2/t17-/m1/s1.
What are the key properties of (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol?
(3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol has a molecular weight of 290.36 g/mol, XLogP of 4.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,2,3,10,11,12-hexahydroperylene-3,9-diol is sourced from PubChem (CID 156581883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).