methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate

C16H18O2 — CID 22634768

IUPACmethyl 2-methyl-6-propan-2-ylazulene-1-carboxylate
SMILESCOC(=O)c1c(C)cc2ccc(C(C)C)ccc1-2
InChIInChI=1S/C16H18O2/c1-10(2)12-5-6-13-9-11(3)15(16(17)18-4)14(13)8-7-12/h5-10H,1-4H3
InChIKeyHGZZHABSWJXDNL-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.01
Rot. Bonds2

About methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate

methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate (PubChem CID 22634768) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-propan-2-ylazulene-1-carboxylate
PubChem CID22634768
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Namemethyl 2-methyl-6-propan-2-ylazulene-1-carboxylate
SMILESCOC(=O)c1c(C)cc2ccc(C(C)C)ccc1-2
InChIInChI=1S/C16H18O2/c1-10(2)12-5-6-13-9-11(3)15(16(17)18-4)14(13)8-7-12/h5-10H,1-4H3
InChIKeyHGZZHABSWJXDNL-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 3-amino-4-methyl-5-(4-propan-2-ylphenyl)thiophene-2-carboxylate
CID 63398957
methyl 2-(6-methoxynaphthalen-2-yl)-6-methylbenzoate
CID 177480040
methyl 5-(4-propan-2-ylphenyl)furan-2-carboxylate
CID 20750206
methyl 3-(2-hydroxyethyl)-6-propan-2-ylazulene-1-carboxylate
CID 10084626
methyl 4-hydroxy-5-[(3-hydroxy-4-methoxycarbonyl-5-methylthiophen-2-yl)-(4-propan-2-ylphenyl)methyl]-2-methylthiophene-3-carboxylate
CID 5294731
methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 50903563
methyl 2-(cyclopropanecarbonylamino)-5-methyl-4-(4-propan-2-ylphenyl)thiophene-3-carboxylate
CID 5183064
methyl 4-[(1S,2S)-1,2-bis(3,8-dimethyl-5-propan-2-ylazulen-1-yl)-2-(4-methoxycarbonylphenyl)ethyl]benzoate
CID 102352771
diethyl 2-amino-6-propan-2-ylazulene-1,3-dicarboxylate
CID 102239311
4-methyl-3-(4-propan-2-ylphenyl)benzoic acid
CID 67519519
methyl 2-(4-methylphenyl)-6-sulfanylbenzoate
CID 102144462

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate?
The IUPAC name of methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate (CID 22634768) is methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate?
The canonical SMILES for methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate is COC(=O)c1c(C)cc2ccc(C(C)C)ccc1-2.
What is the InChIKey of methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate?
The InChIKey is HGZZHABSWJXDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-10(2)12-5-6-13-9-11(3)15(16(17)18-4)14(13)8-7-12/h5-10H,1-4H3.
What are the key properties of methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate?
methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-propan-2-ylazulene-1-carboxylate is sourced from PubChem (CID 22634768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).