1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea

C16H22N2O3 — CID 110933160

IUPAC1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NC1CCOc2ccccc21)NC1CCCCC1O
InChIInChI=1S/C16H22N2O3/c19-14-7-3-2-6-13(14)18-16(20)17-12-9-10-21-15-8-4-1-5-11(12)15/h1,4-5,8,12-14,19H,2-3,6-7,9-10H2,(H2,17,18,20)
InChIKeyHKIVJZILIGIHAH-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea

1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea (PubChem CID 110933160) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea
PubChem CID110933160
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea
SMILESO=C(NC1CCOc2ccccc21)NC1CCCCC1O
InChIInChI=1S/C16H22N2O3/c19-14-7-3-2-6-13(14)18-16(20)17-12-9-10-21-15-8-4-1-5-11(12)15/h1,4-5,8,12-14,19H,2-3,6-7,9-10H2,(H2,17,18,20)
InChIKeyHKIVJZILIGIHAH-UHFFFAOYSA-N
XLogP2.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-(3,4-dihydro-2H-chromen-4-ylamino)cyclohexan-1-ol
CID 104926539
1-(9-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-3-(2-hydroxycyclohexyl)urea
CID 110013261
1-tert-butyl-3-(3,4-dihydro-2H-chromen-4-yl)urea
CID 110750051
1-(2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl)-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 71917862
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-hydroxyethyl)urea
CID 97083391
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(1-hydroxycyclohexyl)methyl]urea
CID 110936462
1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea
CID 110913063
1-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 94148995
N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
2-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)propanoic acid
CID 55063461
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,6-dimethylphenyl)urea
CID 110866349

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea (CID 110933160) is 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea is O=C(NC1CCOc2ccccc21)NC1CCCCC1O.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea?
The InChIKey is HKIVJZILIGIHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14-7-3-2-6-13(14)18-16(20)17-12-9-10-21-15-8-4-1-5-11(12)15/h1,4-5,8,12-14,19H,2-3,6-7,9-10H2,(H2,17,18,20).
What are the key properties of 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea?
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea has a molecular weight of 290.36 g/mol, XLogP of 2.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-4-yl)-3-(2-hydroxycyclohexyl)urea is sourced from PubChem (CID 110933160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).