[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

C18H19NO3 — CID 175568925

IUPAC[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESCOc1cccc(-c2ccc3c(c2)CCCC3OC(N)=O)c1
InChIInChI=1S/C18H19NO3/c1-21-15-6-2-4-12(11-15)13-8-9-16-14(10-13)5-3-7-17(16)22-18(19)20/h2,4,6,8-11,17H,3,5,7H2,1H3,(H2,19,20)
InChIKeyOPRIBZULXZYSNS-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.83
Rot. Bonds3

About [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate

[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (PubChem CID 175568925) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.

Molecular Properties

Compound Name[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
PubChem CID175568925
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
SMILESCOc1cccc(-c2ccc3c(c2)CCCC3OC(N)=O)c1
InChIInChI=1S/C18H19NO3/c1-21-15-6-2-4-12(11-15)13-8-9-16-14(10-13)5-3-7-17(16)22-18(19)20/h2,4,6,8-11,17H,3,5,7H2,1H3,(H2,19,20)
InChIKeyOPRIBZULXZYSNS-UHFFFAOYSA-N
XLogP3.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(3-propan-2-ylphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568904
(1S)-6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129391570
[6-[2-(2-methoxyethoxy)phenyl]-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568722
[6-(2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568706
[6-(2,4-difluorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568957
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823
[5-(3,5-difluorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296693
[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl] butanoate
CID 90842495
(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl) 2,2-dimethylbutanoate
CID 58030996
[(1S)-6-(3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl]carbamic acid
CID 174226515
(3'S)-5-[[5-(3-methoxyphenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-3'-methylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxylic acid
CID 143977203
1-methoxy-5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 155221844

Frequently Asked Questions

What is the IUPAC name of [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The IUPAC name of [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate (CID 175568925) is [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate.
What is the SMILES notation for [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The canonical SMILES for [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is COc1cccc(-c2ccc3c(c2)CCCC3OC(N)=O)c1.
What is the InChIKey of [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
The InChIKey is OPRIBZULXZYSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-21-15-6-2-4-12(11-15)13-8-9-16-14(10-13)5-3-7-17(16)22-18(19)20/h2,4,6,8-11,17H,3,5,7H2,1H3,(H2,19,20).
What are the key properties of [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate?
[6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate is sourced from PubChem (CID 175568925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).