[6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid

C18H19NO3 — CID 69074757

IUPAC[6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid
SMILESO=C(O)NC1CCCc2cc(-c3ccccc3CO)ccc21
InChIInChI=1S/C18H19NO3/c20-11-14-4-1-2-6-15(14)13-8-9-16-12(10-13)5-3-7-17(16)19-18(21)22/h1-2,4,6,8-10,17,19-20H,3,5,7,11H2,(H,21,22)
InChIKeySYWNUNPYFBRQCX-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.49
Rot. Bonds3

About [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid

[6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid (PubChem CID 69074757) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid.

Molecular Properties

Compound Name[6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid
PubChem CID69074757
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid
SMILESO=C(O)NC1CCCc2cc(-c3ccccc3CO)ccc21
InChIInChI=1S/C18H19NO3/c20-11-14-4-1-2-6-15(14)13-8-9-16-12(10-13)5-3-7-17(16)19-18(21)22/h1-2,4,6,8-10,17,19-20H,3,5,7,11H2,(H,21,22)
InChIKeySYWNUNPYFBRQCX-UHFFFAOYSA-N
XLogP3.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[(1R)-6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 86760699
(6-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)carbamic acid
CID 118139241
tert-butyl N-[(1R)-6-(2-carbonochloridoylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 86596030
[(3S)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 156739968
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-[6-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 175782610
[(1R)-5-(5-ethyl-1,2-oxazol-3-yl)-2,3-dihydro-1H-inden-1-yl]carbamic acid
CID 139413144
2-(2-chlorophenyl)-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 100633564
6-(2-methylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 169410347
2-(2-fluorophenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2406192
2-(3-aminophenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 62499039
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371

Frequently Asked Questions

What is the IUPAC name of [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
The IUPAC name of [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid (CID 69074757) is [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid.
What is the SMILES notation for [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
The canonical SMILES for [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid is O=C(O)NC1CCCc2cc(-c3ccccc3CO)ccc21.
What is the InChIKey of [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
The InChIKey is SYWNUNPYFBRQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-11-14-4-1-2-6-15(14)13-8-9-16-12(10-13)5-3-7-17(16)19-18(21)22/h1-2,4,6,8-10,17,19-20H,3,5,7,11H2,(H,21,22).
What are the key properties of [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid?
[6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid has a molecular weight of 297.35 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(hydroxymethyl)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamic acid is sourced from PubChem (CID 69074757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).