(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid

C16H17NO4 — CID 68757706

IUPAC(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
SMILESCOc1cc(OCc2ccccc2)ccc1CNC(=O)O
InChIInChI=1S/C16H17NO4/c1-20-15-9-14(8-7-13(15)10-17-16(18)19)21-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyUYMFYZBLJCBPOB-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.04
Rot. Bonds6

About (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid

(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid (PubChem CID 68757706) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
PubChem CID68757706
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid
SMILESCOc1cc(OCc2ccccc2)ccc1CNC(=O)O
InChIInChI=1S/C16H17NO4/c1-20-15-9-14(8-7-13(15)10-17-16(18)19)21-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3,(H,18,19)
InChIKeyUYMFYZBLJCBPOB-UHFFFAOYSA-N
XLogP3.04
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-methoxy-4-phenylmethoxybenzene
CID 130330824
(2-chloro-4-phenylmethoxyphenyl)methylcarbamic acid
CID 90281986
tert-butyl N-[(4-methoxy-2-phenylmethoxyphenyl)methyl]carbamate
CID 68795475
N-[[2,4-bis(phenylmethoxy)phenyl]methyl]ethanamine
CID 129259495
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
N-[(2,4-dimethoxyphenyl)methyl]-3-[(2-phenylacetyl)amino]propanamide
CID 46590301
CID 123516675
CID 123516675
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415
1-(2,4-dimethoxyphenyl)-N-phenylmethoxymethanamine
CID 82708945
1-[(2,4-dimethoxyphenyl)methyl]-3-phenylurea
CID 110774912
[1-[(2-methoxy-4-phenylmethoxyphenyl)methyl]azetidin-3-yl]methanediol
CID 91478879
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid?
The IUPAC name of (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid (CID 68757706) is (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid.
What is the SMILES notation for (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid?
The canonical SMILES for (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid is COc1cc(OCc2ccccc2)ccc1CNC(=O)O.
What is the InChIKey of (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid?
The InChIKey is UYMFYZBLJCBPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-20-15-9-14(8-7-13(15)10-17-16(18)19)21-11-12-5-3-2-4-6-12/h2-9,17H,10-11H2,1H3,(H,18,19).
What are the key properties of (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid?
(2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid has a molecular weight of 287.32 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-phenylmethoxyphenyl)methylcarbamic acid is sourced from PubChem (CID 68757706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).