benzene-1,2,3-triol;naphthalene

C16H14O3 — CID 157155506

IUPACbenzene-1,2,3-triol;naphthalene
SMILESOc1cccc(O)c1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H6O3/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-2-1-3-5(8)6(4)9/h1-8H;1-3,7-9H
InChIKeyALTIDQBLEAMYKW-UHFFFAOYSA-N
MW254.28 g/mol
LogP3.64
Rot. Bonds

About benzene-1,2,3-triol;naphthalene

benzene-1,2,3-triol;naphthalene (PubChem CID 157155506) has the molecular formula C16H14O3 and a molecular weight of 254.28 g/mol. Its IUPAC name is benzene-1,2,3-triol;naphthalene.

Molecular Properties

Compound Namebenzene-1,2,3-triol;naphthalene
PubChem CID157155506
Molecular FormulaC16H14O3
Molecular Weight254.28 g/mol
Exact Mass254.09
IUPAC Namebenzene-1,2,3-triol;naphthalene
SMILESOc1cccc(O)c1O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H6O3/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-2-1-3-5(8)6(4)9/h1-8H;1-3,7-9H
InChIKeyALTIDQBLEAMYKW-UHFFFAOYSA-N
XLogP3.64
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,3-triol;naphthalene?
The IUPAC name of benzene-1,2,3-triol;naphthalene (CID 157155506) is benzene-1,2,3-triol;naphthalene.
What is the SMILES notation for benzene-1,2,3-triol;naphthalene?
The canonical SMILES for benzene-1,2,3-triol;naphthalene is Oc1cccc(O)c1O.c1ccc2ccccc2c1.
What is the InChIKey of benzene-1,2,3-triol;naphthalene?
The InChIKey is ALTIDQBLEAMYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H6O3/c1-2-6-10-8-4-3-7-9(10)5-1;7-4-2-1-3-5(8)6(4)9/h1-8H;1-3,7-9H.
What are the key properties of benzene-1,2,3-triol;naphthalene?
benzene-1,2,3-triol;naphthalene has a molecular weight of 254.28 g/mol, XLogP of 3.64, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,3-triol;naphthalene is sourced from PubChem (CID 157155506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).