4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol

C19H21NO4 — CID 174800015

IUPAC4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol
SMILESCCNc1ccc(O)c(C)c1O.Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C10H8O2.C9H13NO2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;1-3-10-7-4-5-8(11)6(2)9(7)12/h1-6,11-12H;4-5,10-12H,3H2,1-2H3
InChIKeyZFUKPWIAECZDMT-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.09
Rot. Bonds2

About 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol

4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol (PubChem CID 174800015) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol.

Molecular Properties

Compound Name4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol
PubChem CID174800015
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol
SMILESCCNc1ccc(O)c(C)c1O.Oc1ccc2ccc(O)cc2c1
InChIInChI=1S/C10H8O2.C9H13NO2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;1-3-10-7-4-5-8(11)6(2)9(7)12/h1-6,11-12H;4-5,10-12H,3H2,1-2H3
InChIKeyZFUKPWIAECZDMT-UHFFFAOYSA-N
XLogP4.09
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol?
The IUPAC name of 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol (CID 174800015) is 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol.
What is the SMILES notation for 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol?
The canonical SMILES for 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol is CCNc1ccc(O)c(C)c1O.Oc1ccc2ccc(O)cc2c1.
What is the InChIKey of 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol?
The InChIKey is ZFUKPWIAECZDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2.C9H13NO2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9;1-3-10-7-4-5-8(11)6(2)9(7)12/h1-6,11-12H;4-5,10-12H,3H2,1-2H3.
What are the key properties of 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol?
4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol has a molecular weight of 327.38 g/mol, XLogP of 4.09, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol is sourced from PubChem (CID 174800015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).