(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate

C22H21NO3 — CID 175253181

IUPAC(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
SMILESCC1(C)COc2cc(-c3ccc4ccccc4c3)ccc2C1OC(N)=O
InChIInChI=1S/C22H21NO3/c1-22(2)13-25-19-12-17(9-10-18(19)20(22)26-21(23)24)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,20H,13H2,1-2H3,(H2,23,24)
InChIKeyKACIYOXGGRNWEA-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.06
Rot. Bonds2

About (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate

(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate (PubChem CID 175253181) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate.

Molecular Properties

Compound Name(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
PubChem CID175253181
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate
SMILESCC1(C)COc2cc(-c3ccc4ccccc4c3)ccc2C1OC(N)=O
InChIInChI=1S/C22H21NO3/c1-22(2)13-25-19-12-17(9-10-18(19)20(22)26-21(23)24)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,20H,13H2,1-2H3,(H2,23,24)
InChIKeyKACIYOXGGRNWEA-UHFFFAOYSA-N
XLogP5.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380
4-Methoxy-4-[2-methyl-3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 14985900
(2S,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene
CID 16746399
Naphthalene, 2-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-
CID 3067138
Naphthalene, 2-(1,1-dimethyl-2-((3-phenoxyphenyl)methoxy)ethyl)-6-methyl-
CID 3067605
(2R,4S)-4-(4-methoxyphenyl)-5,7-dimethyl-2-phenyl-3,4-dihydro-2H-chromene
CID 16746488
(2S,4S)-5-isopropyl-4-(4-methoxyphenyl)-8-methyl-2-phenyl-chroman
CID 24747426
4-Methyl-7-phenylmethoxybenzo[h]chromen-2-one
CID 46830305
4-Methyl-7-(1-phenylethoxy)benzo[h]chromen-2-one
CID 46887396
[2-Acetyloxy-5-(6-methoxynaphthalen-2-yl)phenyl]methyl acetate
CID 118712400
4-[(E)-2-(3-methoxyphenyl)ethenyl]benzo[h]chromen-2-one
CID 155533561
4-[(E)-2-(2-methoxyphenyl)ethenyl]-7-methylbenzo[h]chromen-2-one
CID 155546459

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate?
The IUPAC name of (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate (CID 175253181) is (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate.
What is the SMILES notation for (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate?
The canonical SMILES for (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate is CC1(C)COc2cc(-c3ccc4ccccc4c3)ccc2C1OC(N)=O.
What is the InChIKey of (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate?
The InChIKey is KACIYOXGGRNWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-22(2)13-25-19-12-17(9-10-18(19)20(22)26-21(23)24)16-8-7-14-5-3-4-6-15(14)11-16/h3-12,20H,13H2,1-2H3,(H2,23,24).
What are the key properties of (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate?
(3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate has a molecular weight of 347.41 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-7-naphthalen-2-yl-2,4-dihydrochromen-4-yl) carbamate is sourced from PubChem (CID 175253181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).