(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid

C17H17NO3 — CID 68963532

IUPAC(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1Cc2cccc(Cc3ccccc3)c2O1
InChIInChI=1S/C17H17NO3/c19-17(20)18-11-15-10-14-8-4-7-13(16(14)21-15)9-12-5-2-1-3-6-12/h1-8,15,18H,9-11H2,(H,19,20)
InChIKeyRFEXIULYJYNSGN-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.85
Rot. Bonds4

About (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid

(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid (PubChem CID 68963532) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid
PubChem CID68963532
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid
SMILESO=C(O)NCC1Cc2cccc(Cc3ccccc3)c2O1
InChIInChI=1S/C17H17NO3/c19-17(20)18-11-15-10-14-8-4-7-13(16(14)21-15)9-12-5-2-1-3-6-12/h1-8,15,18H,9-11H2,(H,19,20)
InChIKeyRFEXIULYJYNSGN-UHFFFAOYSA-N
XLogP2.85
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydrobenzo[g][1]benzofuran-2-ylmethylcarbamic acid
CID 68583866
(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methyl 4-methylbenzenesulfonate
CID 86599065
[7-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-yl]methylcarbamic acid
CID 69108404
1-[7-[(2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-yl]-N-methylmethanamine
CID 69305108
2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid
CID 71174186
3-phenyl-N-[[(2R)-7-pyrimidin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]propanamide
CID 42212363
methyl N-benzyl-N-[[7-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 91356613
N-[(7-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 46090263
benzyl N-[[7-(2,4,6-trichlorophenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]carbamate
CID 86599163
N-[[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-oxo-2-phenylacetamide
CID 45167343
N-[[(2S)-7-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methoxybenzamide
CID 92757198
benzyl N-(2,3,6,7,8,9-hexahydrobenzo[g][1]benzofuran-2-ylmethyl)carbamate
CID 86598544

Frequently Asked Questions

What is the IUPAC name of (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid?
The IUPAC name of (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid (CID 68963532) is (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid.
What is the SMILES notation for (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid?
The canonical SMILES for (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid is O=C(O)NCC1Cc2cccc(Cc3ccccc3)c2O1.
What is the InChIKey of (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid?
The InChIKey is RFEXIULYJYNSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-17(20)18-11-15-10-14-8-4-7-13(16(14)21-15)9-12-5-2-1-3-6-12/h1-8,15,18H,9-11H2,(H,19,20).
What are the key properties of (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid?
(7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid has a molecular weight of 283.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-benzyl-2,3-dihydro-1-benzofuran-2-yl)methylcarbamic acid is sourced from PubChem (CID 68963532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).