1H-cyclopenta[a]naphthalene-1,2,3-triol

C13H10O3 — CID 86632047

IUPAC1H-cyclopenta[a]naphthalene-1,2,3-triol
SMILESOC1=C(O)C(O)c2c1ccc1ccccc21
InChIInChI=1S/C13H10O3/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12(15)13(11)16/h1-6,12,14-16H
InChIKeyMGBQSTRJZWMQBF-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.67
Rot. Bonds

About 1H-cyclopenta[a]naphthalene-1,2,3-triol

1H-cyclopenta[a]naphthalene-1,2,3-triol (PubChem CID 86632047) has the molecular formula C13H10O3 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1H-cyclopenta[a]naphthalene-1,2,3-triol.

Molecular Properties

Compound Name1H-cyclopenta[a]naphthalene-1,2,3-triol
PubChem CID86632047
Molecular FormulaC13H10O3
Molecular Weight214.22 g/mol
Exact Mass214.06
IUPAC Name1H-cyclopenta[a]naphthalene-1,2,3-triol
SMILESOC1=C(O)C(O)c2c1ccc1ccccc21
InChIInChI=1S/C13H10O3/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12(15)13(11)16/h1-6,12,14-16H
InChIKeyMGBQSTRJZWMQBF-UHFFFAOYSA-N
XLogP2.67
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-cyclopenta[a]naphthalene-1,2,3-triol?
The IUPAC name of 1H-cyclopenta[a]naphthalene-1,2,3-triol (CID 86632047) is 1H-cyclopenta[a]naphthalene-1,2,3-triol.
What is the SMILES notation for 1H-cyclopenta[a]naphthalene-1,2,3-triol?
The canonical SMILES for 1H-cyclopenta[a]naphthalene-1,2,3-triol is OC1=C(O)C(O)c2c1ccc1ccccc21.
What is the InChIKey of 1H-cyclopenta[a]naphthalene-1,2,3-triol?
The InChIKey is MGBQSTRJZWMQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O3/c14-11-9-6-5-7-3-1-2-4-8(7)10(9)12(15)13(11)16/h1-6,12,14-16H.
What are the key properties of 1H-cyclopenta[a]naphthalene-1,2,3-triol?
1H-cyclopenta[a]naphthalene-1,2,3-triol has a molecular weight of 214.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-cyclopenta[a]naphthalene-1,2,3-triol is sourced from PubChem (CID 86632047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).