4H-naphthalene-1,3,4a-triol

C10H10O3 — CID 169291219

IUPAC4H-naphthalene-1,3,4a-triol
SMILESOC1=CC(O)=C2C=CC=CC2(O)C1
InChIInChI=1S/C10H10O3/c11-7-5-9(12)8-3-1-2-4-10(8,13)6-7/h1-5,11-13H,6H2
InChIKeyNLFVULXEWRLJJU-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.50
Rot. Bonds

About 4H-naphthalene-1,3,4a-triol

4H-naphthalene-1,3,4a-triol (PubChem CID 169291219) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4H-naphthalene-1,3,4a-triol.

Molecular Properties

Compound Name4H-naphthalene-1,3,4a-triol
PubChem CID169291219
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4H-naphthalene-1,3,4a-triol
SMILESOC1=CC(O)=C2C=CC=CC2(O)C1
InChIInChI=1S/C10H10O3/c11-7-5-9(12)8-3-1-2-4-10(8,13)6-7/h1-5,11-13H,6H2
InChIKeyNLFVULXEWRLJJU-UHFFFAOYSA-N
XLogP1.50
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

p-Allylquinol
CID 17894603
3-Propylresorcinol
CID 22594692
Ethyldihydroresorcinol
CID 22672483
2,8-Dimethylidenenaphthalene-1,4-diol
CID 53815679
(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
CID 135566303
2-Methyl-3,5-dimethylidenenaphthalene-1,4-diol
CID 90856787
1-Naphthalenol, 3,4,7,8-tetrahydro-
CID 577393
5-Prop-1-enylcyclohexa-1,3-diene-1,3,5-triol
CID 178416865
2H-naphthalen-4a-ol
CID 18314803
1-Ethyl-2-methylcyclohexa-3,5-diene-1,3-diol
CID 20458008
6,7-Dihydronaphthalen-1-ol
CID 20633891
4H-naphthalen-4a-ol
CID 20847521

Frequently Asked Questions

What is the IUPAC name of 4H-naphthalene-1,3,4a-triol?
The IUPAC name of 4H-naphthalene-1,3,4a-triol (CID 169291219) is 4H-naphthalene-1,3,4a-triol.
What is the SMILES notation for 4H-naphthalene-1,3,4a-triol?
The canonical SMILES for 4H-naphthalene-1,3,4a-triol is OC1=CC(O)=C2C=CC=CC2(O)C1.
What is the InChIKey of 4H-naphthalene-1,3,4a-triol?
The InChIKey is NLFVULXEWRLJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-7-5-9(12)8-3-1-2-4-10(8,13)6-7/h1-5,11-13H,6H2.
What are the key properties of 4H-naphthalene-1,3,4a-triol?
4H-naphthalene-1,3,4a-triol has a molecular weight of 178.19 g/mol, XLogP of 1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-naphthalene-1,3,4a-triol is sourced from PubChem (CID 169291219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).