(3,4-dimethoxy-5-methylphenyl) carbamate

C10H13NO4 — CID 137496304

IUPAC(3,4-dimethoxy-5-methylphenyl) carbamate
SMILESCOc1cc(OC(N)=O)cc(C)c1OC
InChIInChI=1S/C10H13NO4/c1-6-4-7(15-10(11)12)5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H2,11,12)
InChIKeyDLWYPERBQKTMLB-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.47
Rot. Bonds3

About (3,4-dimethoxy-5-methylphenyl) carbamate

(3,4-dimethoxy-5-methylphenyl) carbamate (PubChem CID 137496304) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (3,4-dimethoxy-5-methylphenyl) carbamate.

Molecular Properties

Compound Name(3,4-dimethoxy-5-methylphenyl) carbamate
PubChem CID137496304
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(3,4-dimethoxy-5-methylphenyl) carbamate
SMILESCOc1cc(OC(N)=O)cc(C)c1OC
InChIInChI=1S/C10H13NO4/c1-6-4-7(15-10(11)12)5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H2,11,12)
InChIKeyDLWYPERBQKTMLB-UHFFFAOYSA-N
XLogP1.47
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxy-5-methylphenyl) benzoate
CID 71511932
(4-amino-3,5-dimethylphenyl) carbamate
CID 175292870
(2,4,6-trimethoxyphenyl) acetate
CID 68597137
(3,4,5-trimethoxyphenyl) prop-2-enoate
CID 100954582
(3,4,5-trimethoxyphenyl) 2-methylbutanoate
CID 91873545
[2-methoxy-4-[(4-methoxyphenyl)methylsulfanyl]-6-methylphenyl] carbamate
CID 175058371
(4-methoxy-2,6-dimethylphenyl) acetate
CID 11816390
(4-ethynyl-3-methoxyphenyl) carbamate
CID 175536967
[3,5-bis[(3,4,5-trimethoxybenzoyl)oxy]phenyl] 3,4,5-trimethoxybenzoate
CID 67989294
2-(3,4-dimethoxy-5-methylphenyl)acetic acid
CID 70527445
2-(3,4-dimethoxy-5-methylphenyl)-2-hydroxyacetic acid
CID 117325097
2-(3,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117321873

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxy-5-methylphenyl) carbamate?
The IUPAC name of (3,4-dimethoxy-5-methylphenyl) carbamate (CID 137496304) is (3,4-dimethoxy-5-methylphenyl) carbamate.
What is the SMILES notation for (3,4-dimethoxy-5-methylphenyl) carbamate?
The canonical SMILES for (3,4-dimethoxy-5-methylphenyl) carbamate is COc1cc(OC(N)=O)cc(C)c1OC.
What is the InChIKey of (3,4-dimethoxy-5-methylphenyl) carbamate?
The InChIKey is DLWYPERBQKTMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6-4-7(15-10(11)12)5-8(13-2)9(6)14-3/h4-5H,1-3H3,(H2,11,12).
What are the key properties of (3,4-dimethoxy-5-methylphenyl) carbamate?
(3,4-dimethoxy-5-methylphenyl) carbamate has a molecular weight of 211.22 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxy-5-methylphenyl) carbamate is sourced from PubChem (CID 137496304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).