benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate

C21H17NO4 — CID 53220686

IUPACbenzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
SMILESO=Cc1cc(-c2ccc(NC(=O)OCc3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H17NO4/c23-13-18-12-17(8-11-20(18)24)16-6-9-19(10-7-16)22-21(25)26-14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,22,25)
InChIKeyAHMZMDSYMYWTGQ-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.62
Rot. Bonds5

About benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate

benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate (PubChem CID 53220686) has the molecular formula C21H17NO4 and a molecular weight of 347.37 g/mol. Its IUPAC name is benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
PubChem CID53220686
Molecular FormulaC21H17NO4
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Namebenzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate
SMILESO=Cc1cc(-c2ccc(NC(=O)OCc3ccccc3)cc2)ccc1O
InChIInChI=1S/C21H17NO4/c23-13-18-12-17(8-11-20(18)24)16-6-9-19(10-7-16)22-21(25)26-14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,22,25)
InChIKeyAHMZMDSYMYWTGQ-UHFFFAOYSA-N
XLogP4.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl N-(3-formyl-4-methylphenyl)carbamate
CID 123875597
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219805
N-[4-(3-formyl-4-hydroxyphenyl)phenyl]acetamide
CID 122358590
benzyl N-[4-(4-methoxyphenyl)phenyl]carbamate
CID 102104858
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
benzyl N-[4-(4,6-dichloropyrimidin-2-yl)phenyl]carbamate
CID 22618116
3-chloro-5-[4-(phenylmethoxycarbonylamino)phenyl]benzoic acid
CID 53229105
5-[4-(phenylmethoxycarbonylamino)phenyl]pyridine-3-carboxylic acid
CID 53224753
benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855779
benzyl N-(4-prop-2-enoxyphenyl)carbamate
CID 4952532
benzyl N-[4-(chlorooxymethyl)phenyl]carbamate
CID 70641351

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate (CID 53220686) is benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate is O=Cc1cc(-c2ccc(NC(=O)OCc3ccccc3)cc2)ccc1O.
What is the InChIKey of benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate?
The InChIKey is AHMZMDSYMYWTGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4/c23-13-18-12-17(8-11-20(18)24)16-6-9-19(10-7-16)22-21(25)26-14-15-4-2-1-3-5-15/h1-13,24H,14H2,(H,22,25).
What are the key properties of benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate?
benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate has a molecular weight of 347.37 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3-formyl-4-hydroxyphenyl)phenyl]carbamate is sourced from PubChem (CID 53220686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).