7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol

C19H21NO3 — CID 101359385

IUPAC7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol
SMILESCCN(CC)c1ccc2c(c1)OC(O)(c1ccc(O)cc1)C=C2
InChIInChI=1S/C19H21NO3/c1-3-20(4-2)16-8-5-14-11-12-19(22,23-18(14)13-16)15-6-9-17(21)10-7-15/h5-13,21-22H,3-4H2,1-2H3
InChIKeyYLZUJHXMYMBONZ-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.49
Rot. Bonds4

About 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol

7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol (PubChem CID 101359385) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol.

Molecular Properties

Compound Name7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol
PubChem CID101359385
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol
SMILESCCN(CC)c1ccc2c(c1)OC(O)(c1ccc(O)cc1)C=C2
InChIInChI=1S/C19H21NO3/c1-3-20(4-2)16-8-5-14-11-12-19(22,23-18(14)13-16)15-6-9-17(21)10-7-15/h5-13,21-22H,3-4H2,1-2H3
InChIKeyYLZUJHXMYMBONZ-UHFFFAOYSA-N
XLogP3.49
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(trifluoromethyl)chromen-7-ol
CID 141098205
N,N-diethyl-2H-chromen-7-amine
CID 10750672
N,N-diethyl-1',3',3'-trimethylspiro[chromene-2,2'-indole]-7-amine
CID 3952387
7-(diethylamino)-1',4'-dimethylspiro[chromene-2,3'-quinoxaline]-2'-one
CID 56842003
4-[2-[4-(diethylamino)phenyl]propan-2-yl]phenol
CID 174631371
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine
CID 14438301
N,N-diethylbenzo[d][1]benzoxepin-3-amine
CID 69313406
N,N-diethyl-2,2-dioxo-1,2λ6,3-benzoxathiazin-7-amine
CID 155535074
1-N,1-N,4-N,4-N-tetraethylbenzene-1,4-diamine;hydrochloride
CID 70262837
5-(diethylamino)-2-(hydroxymethyl)phenol
CID 55255374
(E)-3-[7-(diethylamino)-2H-chromen-3-yl]prop-2-enoic acid
CID 16769201
7-(diethylamino)-3-[(4-hydroxyphenyl)iminomethyl]chromen-2-one
CID 71551316

Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol?
The IUPAC name of 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol (CID 101359385) is 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol.
What is the SMILES notation for 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol?
The canonical SMILES for 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol is CCN(CC)c1ccc2c(c1)OC(O)(c1ccc(O)cc1)C=C2.
What is the InChIKey of 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol?
The InChIKey is YLZUJHXMYMBONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-3-20(4-2)16-8-5-14-11-12-19(22,23-18(14)13-16)15-6-9-17(21)10-7-15/h5-13,21-22H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol?
7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol has a molecular weight of 311.38 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-2-(4-hydroxyphenyl)chromen-2-ol is sourced from PubChem (CID 101359385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).