1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea

C14H14N2O4 — CID 108895444

IUPAC1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(O)cc(O)c2)c1
InChIInChI=1S/C14H14N2O4/c1-20-13-4-2-3-9(7-13)15-14(19)16-10-5-11(17)8-12(18)6-10/h2-8,17-18H,1H3,(H2,15,16,19)
InChIKeyYHOMJWTYMOFRID-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.75
Rot. Bonds3

About 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea

1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea (PubChem CID 108895444) has the molecular formula C14H14N2O4 and a molecular weight of 274.28 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
PubChem CID108895444
Molecular FormulaC14H14N2O4
Molecular Weight274.28 g/mol
Exact Mass274.10
IUPAC Name1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
SMILESCOc1cccc(NC(=O)Nc2cc(O)cc(O)c2)c1
InChIInChI=1S/C14H14N2O4/c1-20-13-4-2-3-9(7-13)15-14(19)16-10-5-11(17)8-12(18)6-10/h2-8,17-18H,1H3,(H2,15,16,19)
InChIKeyYHOMJWTYMOFRID-UHFFFAOYSA-N
XLogP2.75
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(2,4-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 69014425
1-(2-amino-4-hydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 107698021
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-cyano-3-(3-methoxyphenyl)urea
CID 22351200
4-[(3-methoxyphenyl)carbamoylamino]-N-methylbenzamide
CID 17180805
1-(furan-2-yl)-3-(3-methoxyphenyl)urea
CID 108868447
N-(3-methoxyphenyl)prop-2-enamide
CID 4069606

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
The IUPAC name of 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea (CID 108895444) is 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea.
What is the SMILES notation for 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
The canonical SMILES for 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)Nc2cc(O)cc(O)c2)c1.
What is the InChIKey of 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
The InChIKey is YHOMJWTYMOFRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O4/c1-20-13-4-2-3-9(7-13)15-14(19)16-10-5-11(17)8-12(18)6-10/h2-8,17-18H,1H3,(H2,15,16,19).
What are the key properties of 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea?
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea has a molecular weight of 274.28 g/mol, XLogP of 2.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 108895444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).