1-(2,4-dihydroxyphenyl)-3-pentylurea

C12H18N2O3 — CID 10060116

IUPAC1-(2,4-dihydroxyphenyl)-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc(O)cc1O
InChIInChI=1S/C12H18N2O3/c1-2-3-4-7-13-12(17)14-10-6-5-9(15)8-11(10)16/h5-6,8,15-16H,2-4,7H2,1H3,(H2,13,14,17)
InChIKeyKZXZSDYSHBKSIC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.41
Rot. Bonds5

About 1-(2,4-dihydroxyphenyl)-3-pentylurea

1-(2,4-dihydroxyphenyl)-3-pentylurea (PubChem CID 10060116) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(2,4-dihydroxyphenyl)-3-pentylurea.

Molecular Properties

Compound Name1-(2,4-dihydroxyphenyl)-3-pentylurea
PubChem CID10060116
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-(2,4-dihydroxyphenyl)-3-pentylurea
SMILESCCCCCNC(=O)Nc1ccc(O)cc1O
InChIInChI=1S/C12H18N2O3/c1-2-3-4-7-13-12(17)14-10-6-5-9(15)8-11(10)16/h5-6,8,15-16H,2-4,7H2,1H3,(H2,13,14,17)
InChIKeyKZXZSDYSHBKSIC-UHFFFAOYSA-N
XLogP2.41
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2,4-dihydroxybenzoyl)amino]-3-octadecylurea
CID 57158847
1-(2-chloro-4-hydroxyphenyl)-3-[6-[(2-chloro-4-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 4520797
1-[2-methyl-4-[3-methyl-4-(octadecylcarbamoylamino)phenyl]phenyl]-3-octadecylurea
CID 15667709
3-hydroxy-4-(propylcarbamoylamino)benzoic acid
CID 60829260
2-(dodecylcarbamoylamino)benzoic acid
CID 150660429
1-benzyl-3-(2,4-dihydroxyphenyl)urea
CID 69011055
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-pentylurea
CID 108990788
1-(2-aminophenyl)-3-nonylurea
CID 177454724
1-[4-(diethylamino)-2-methylphenyl]-3-dodecylurea
CID 20826590
1-[4-[4-(4-hydroxyphenoxy)phenoxy]phenyl]-3-octadecylurea
CID 18183904
1-[(4-hydroxyphenyl)methyl]-3-pentadecylurea
CID 19597068
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxyphenyl)-3-pentylurea?
The IUPAC name of 1-(2,4-dihydroxyphenyl)-3-pentylurea (CID 10060116) is 1-(2,4-dihydroxyphenyl)-3-pentylurea.
What is the SMILES notation for 1-(2,4-dihydroxyphenyl)-3-pentylurea?
The canonical SMILES for 1-(2,4-dihydroxyphenyl)-3-pentylurea is CCCCCNC(=O)Nc1ccc(O)cc1O.
What is the InChIKey of 1-(2,4-dihydroxyphenyl)-3-pentylurea?
The InChIKey is KZXZSDYSHBKSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-3-4-7-13-12(17)14-10-6-5-9(15)8-11(10)16/h5-6,8,15-16H,2-4,7H2,1H3,(H2,13,14,17).
What are the key properties of 1-(2,4-dihydroxyphenyl)-3-pentylurea?
1-(2,4-dihydroxyphenyl)-3-pentylurea has a molecular weight of 238.29 g/mol, XLogP of 2.41, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxyphenyl)-3-pentylurea is sourced from PubChem (CID 10060116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).