1,3,5-trimethoxybenzene;urea

C10H16N2O4 — CID 174919725

IUPAC1,3,5-trimethoxybenzene;urea
SMILESCOc1cc(OC)cc(OC)c1.NC(N)=O
InChIInChI=1S/C9H12O3.CH4N2O/c1-10-7-4-8(11-2)6-9(5-7)12-3;2-1(3)4/h4-6H,1-3H3;(H4,2,3,4)
InChIKeyOATSUQKXYYQZFQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.74
Rot. Bonds3

About 1,3,5-trimethoxybenzene;urea

1,3,5-trimethoxybenzene;urea (PubChem CID 174919725) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1,3,5-trimethoxybenzene;urea.

Molecular Properties

Compound Name1,3,5-trimethoxybenzene;urea
PubChem CID174919725
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name1,3,5-trimethoxybenzene;urea
SMILESCOc1cc(OC)cc(OC)c1.NC(N)=O
InChIInChI=1S/C9H12O3.CH4N2O/c1-10-7-4-8(11-2)6-9(5-7)12-3;2-1(3)4/h4-6H,1-3H3;(H4,2,3,4)
InChIKeyOATSUQKXYYQZFQ-UHFFFAOYSA-N
XLogP0.74
TPSA96.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-dimethoxyphenyl) 2-aminoprop-2-enoate
CID 174817880
phosphane;1,3,5-trimethoxybenzene
CID 175232895
(3,5-dimethoxyphenyl)sulfanylurea
CID 174699067
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
3,5-dimethoxybenzoyl fluoride
CID 102051744
(3S)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059837
(3R)-3-amino-3-(3,5-dimethoxyphenyl)propanamide
CID 29059840
2-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)acetamide
CID 58785891
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
methyl (2S)-2-(3,5-dimethoxyphenoxy)propanoate
CID 97170688
lithium 3,5-dimethoxybenzoate
CID 19205782
N-(3,5-dimethoxyphenyl)acetamide
CID 702039

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxybenzene;urea?
The IUPAC name of 1,3,5-trimethoxybenzene;urea (CID 174919725) is 1,3,5-trimethoxybenzene;urea.
What is the SMILES notation for 1,3,5-trimethoxybenzene;urea?
The canonical SMILES for 1,3,5-trimethoxybenzene;urea is COc1cc(OC)cc(OC)c1.NC(N)=O.
What is the InChIKey of 1,3,5-trimethoxybenzene;urea?
The InChIKey is OATSUQKXYYQZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3.CH4N2O/c1-10-7-4-8(11-2)6-9(5-7)12-3;2-1(3)4/h4-6H,1-3H3;(H4,2,3,4).
What are the key properties of 1,3,5-trimethoxybenzene;urea?
1,3,5-trimethoxybenzene;urea has a molecular weight of 228.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxybenzene;urea is sourced from PubChem (CID 174919725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).