(8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid

C19H21NO4 — CID 174190161

IUPAC(8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid
SMILESCOc1cc2c(cc1C)-c1cc(C)c(NC(=O)O)cc1OC2(C)C
InChIInChI=1S/C19H21NO4/c1-10-6-13-12-7-11(2)16(23-5)8-14(12)19(3,4)24-17(13)9-15(10)20-18(21)22/h6-9,20H,1-5H3,(H,21,22)
InChIKeyFRKXENUBJZKXKI-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.70
Rot. Bonds2

About (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid

(8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid (PubChem CID 174190161) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid.

Molecular Properties

Compound Name(8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid
PubChem CID174190161
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid
SMILESCOc1cc2c(cc1C)-c1cc(C)c(NC(=O)O)cc1OC2(C)C
InChIInChI=1S/C19H21NO4/c1-10-6-13-12-7-11(2)16(23-5)8-14(12)19(3,4)24-17(13)9-15(10)20-18(21)22/h6-9,20H,1-5H3,(H,21,22)
InChIKeyFRKXENUBJZKXKI-UHFFFAOYSA-N
XLogP4.70
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid?
The IUPAC name of (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid (CID 174190161) is (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid.
What is the SMILES notation for (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid?
The canonical SMILES for (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid is COc1cc2c(cc1C)-c1cc(C)c(NC(=O)O)cc1OC2(C)C.
What is the InChIKey of (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid?
The InChIKey is FRKXENUBJZKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-10-6-13-12-7-11(2)16(23-5)8-14(12)19(3,4)24-17(13)9-15(10)20-18(21)22/h6-9,20H,1-5H3,(H,21,22).
What are the key properties of (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid?
(8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid has a molecular weight of 327.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-2,6,6,9-tetramethylbenzo[c]chromen-3-yl)carbamic acid is sourced from PubChem (CID 174190161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).