1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea

C18H20N2O4 — CID 90535975

IUPAC1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2(O)CCOc3ccccc32)c1
InChIInChI=1S/C18H20N2O4/c1-23-14-6-4-5-13(11-14)20-17(21)19-12-18(22)9-10-24-16-8-3-2-7-15(16)18/h2-8,11,22H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyQYHZAFYIMOOWKG-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.49
Rot. Bonds4

About 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea

1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea (PubChem CID 90535975) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
PubChem CID90535975
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)NCC2(O)CCOc3ccccc32)c1
InChIInChI=1S/C18H20N2O4/c1-23-14-6-4-5-13(11-14)20-17(21)19-12-18(22)9-10-24-16-8-3-2-7-15(16)18/h2-8,11,22H,9-10,12H2,1H3,(H2,19,20,21)
InChIKeyQYHZAFYIMOOWKG-UHFFFAOYSA-N
XLogP2.49
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dichlorophenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535996
1-(2,3-dimethoxyphenyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535991
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3,5-dimethoxybenzamide
CID 90535736
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90535730
1-(3,5-dimethoxyphenyl)-3-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]urea
CID 90499236
5-chloro-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-methoxybenzamide
CID 95984859
1-(3-methoxyphenyl)-3-[(3-methyloxetan-3-yl)methyl]urea
CID 113235126
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-2,4,6-trimethylbenzamide
CID 90535711
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]prop-2-enamide
CID 90535769
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
1-(3-methoxyphenyl)-3-[[2-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 94516313

Frequently Asked Questions

What is the IUPAC name of 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea (CID 90535975) is 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCC2(O)CCOc3ccccc32)c1.
What is the InChIKey of 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea?
The InChIKey is QYHZAFYIMOOWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-14-6-4-5-13(11-14)20-17(21)19-12-18(22)9-10-24-16-8-3-2-7-15(16)18/h2-8,11,22H,9-10,12H2,1H3,(H2,19,20,21).
What are the key properties of 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea?
1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 328.37 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 90535975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).