[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

C17H16ClNO4 — CID 175253937

IUPAC[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESCOc1cc(-c2ccc3c(c2)OCCC3OC(N)=O)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-21-16-9-11(3-5-13(16)18)10-2-4-12-14(23-17(19)20)6-7-22-15(12)8-10/h2-5,8-9,14H,6-7H2,1H3,(H2,19,20)
InChIKeyKSMUSRNPRRQHJE-UHFFFAOYSA-N
MW333.77 g/mol
LogP3.93
Rot. Bonds3

About [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate

[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (PubChem CID 175253937) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.

Molecular Properties

Compound Name[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
PubChem CID175253937
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
SMILESCOc1cc(-c2ccc3c(c2)OCCC3OC(N)=O)ccc1Cl
InChIInChI=1S/C17H16ClNO4/c1-21-16-9-11(3-5-13(16)18)10-2-4-12-14(23-17(19)20)6-7-22-15(12)8-10/h2-5,8-9,14H,6-7H2,1H3,(H2,19,20)
InChIKeyKSMUSRNPRRQHJE-UHFFFAOYSA-N
XLogP3.93
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate with MolForge

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Related Compounds

[7-(3-chlorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252999
[7-(3-chloro-4-morpholin-4-ylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253066
[7-(3-tert-butylphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175254109
[7-(3-fluorophenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253063
[7-(2,2-difluoro-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175252979
[6-(4-chloro-3-methoxyphenyl)-2,2-dimethyl-3,4-dihydro-1H-naphthalen-1-yl] carbamate
CID 175568855
[6-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-yl] carbamate
CID 175253908
1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
[7-(3-chloro-4-methylphenyl)-3,3-dimethyl-2,4-dihydrochromen-4-yl] carbamate
CID 175252980
3,4-dihydro-2H-chromen-4-yl 5-ethenyl-2-methoxybenzoate
CID 170048859
[6-(2,5-dichlorophenyl)-2,3-dihydro-1H-inden-1-yl] carbamate
CID 175296823
[7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl] carbamate
CID 175568823

Frequently Asked Questions

What is the IUPAC name of [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The IUPAC name of [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate (CID 175253937) is [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate.
What is the SMILES notation for [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The canonical SMILES for [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is COc1cc(-c2ccc3c(c2)OCCC3OC(N)=O)ccc1Cl.
What is the InChIKey of [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
The InChIKey is KSMUSRNPRRQHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-21-16-9-11(3-5-13(16)18)10-2-4-12-14(23-17(19)20)6-7-22-15(12)8-10/h2-5,8-9,14H,6-7H2,1H3,(H2,19,20).
What are the key properties of [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate?
[7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate has a molecular weight of 333.77 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(4-chloro-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-yl] carbamate is sourced from PubChem (CID 175253937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).