1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea

C19H21ClN2O3 — CID 132654329

IUPAC1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCOc1ccc2c(c1)C(NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2
InChIInChI=1S/C19H21ClN2O3/c1-19(2)11-16(15-10-14(24-3)7-8-17(15)25-19)22-18(23)21-13-6-4-5-12(20)9-13/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyOTUPMWCXQIAZBB-UHFFFAOYSA-N
MW360.84 g/mol
LogP4.77
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea

1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (PubChem CID 132654329) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
PubChem CID132654329
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea
SMILESCOc1ccc2c(c1)C(NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2
InChIInChI=1S/C19H21ClN2O3/c1-19(2)11-16(15-10-14(24-3)7-8-17(15)25-19)22-18(23)21-13-6-4-5-12(20)9-13/h4-10,16H,11H2,1-3H3,(H2,21,22,23)
InChIKeyOTUPMWCXQIAZBB-UHFFFAOYSA-N
XLogP4.77
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746490
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-(3-methoxyphenyl)urea
CID 100746497
1-(3-chlorophenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)urea
CID 132652579
1-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-methoxyphenyl)urea
CID 133204294
1-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-phenylthiourea
CID 99997514
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-methylpropanamide
CID 95875389
3-chloro-N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 99994456
1-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-3-propylurea
CID 100748889
1-(3-chloro-4-methylphenyl)-3-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100720997
1-(3-chloro-4-methoxyphenyl)-3-[(4R)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]thiourea
CID 100721045
N-[(4S)-6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2,2-dimethylpropanamide
CID 100670635
1-(3-methoxyphenyl)-3-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)thiourea
CID 133155109

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea (CID 132654329) is 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is COc1ccc2c(c1)C(NC(=O)Nc1cccc(Cl)c1)CC(C)(C)O2.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
The InChIKey is OTUPMWCXQIAZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(2)11-16(15-10-14(24-3)7-8-17(15)25-19)22-18(23)21-13-6-4-5-12(20)9-13/h4-10,16H,11H2,1-3H3,(H2,21,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea?
1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea has a molecular weight of 360.84 g/mol, XLogP of 4.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea is sourced from PubChem (CID 132654329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).