[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid

C17H17NO4 — CID 69108404

IUPAC[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
SMILESCOc1ccc(-c2cccc3c2OC(CNC(=O)O)C3)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-7-5-11(6-8-13)15-4-2-3-12-9-14(22-16(12)15)10-18-17(19)20/h2-8,14,18H,9-10H2,1H3,(H,19,20)
InChIKeyNKKIIWBBQRQCQI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.93
Rot. Bonds4

About [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid

[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid (PubChem CID 69108404) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid.

Molecular Properties

Compound Name[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
PubChem CID69108404
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
SMILESCOc1ccc(-c2cccc3c2OC(CNC(=O)O)C3)cc1
InChIInChI=1S/C17H17NO4/c1-21-13-7-5-11(6-8-13)15-4-2-3-12-9-14(22-16(12)15)10-18-17(19)20/h2-8,14,18H,9-10H2,1H3,(H,19,20)
InChIKeyNKKIIWBBQRQCQI-UHFFFAOYSA-N
XLogP2.93
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-(4-methoxyphenyl)-2-[(4-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 141158954
3-(4-methoxyphenyl)-N-[(7-pyridin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]propanamide
CID 45177695
7-(4-methoxyphenyl)-N-methyl-2,3-dihydro-1-benzofuran-2-amine
CID 174539394
N-methyl-1-[7-(4-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 11964052
4-methyl-N-[(7-pyridin-4-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 45230085
2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid
CID 68583866
(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid
CID 68963532
benzyl N-[[7-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599100
2-cyclopropyl-N-[[(2R)-7-(4-methylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 26399304
2,3,4-trimethoxy-N-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45166821
methyl 3-[(7-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamoyl]benzoate
CID 45234496
4-(2,5-dimethoxybenzoyl)-N-[[(2S)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 42542274

Frequently Asked Questions

What is the IUPAC name of [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
The IUPAC name of [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid (CID 69108404) is [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid.
What is the SMILES notation for [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
The canonical SMILES for [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid is COc1ccc(-c2cccc3c2OC(CNC(=O)O)C3)cc1.
What is the InChIKey of [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
The InChIKey is NKKIIWBBQRQCQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-21-13-7-5-11(6-8-13)15-4-2-3-12-9-14(22-16(12)15)10-18-17(19)20/h2-8,14,18H,9-10H2,1H3,(H,19,20).
What are the key properties of [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid?
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid has a molecular weight of 299.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid is sourced from PubChem (CID 69108404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).