(4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

C16H22O3 — CID 132934584

IUPAC(4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCOc1cc2c(cc1C)[C@H](C(C)C)CCC2C(=O)O
InChIInChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyTZLBIEKHFHDXHJ-PXYINDEMSA-N
MW262.35 g/mol
LogP3.71
Rot. Bonds3

About (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

(4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (PubChem CID 132934584) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name(4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
PubChem CID132934584
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
SMILESCOc1cc2c(cc1C)[C@H](C(C)C)CCC2C(=O)O
InChIInChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12?/m0/s1
InChIKeyTZLBIEKHFHDXHJ-PXYINDEMSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,4R)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methanol
CID 25242769
(7S)-3-methoxy-4-methylbicyclo[4.2.0]octa-1(6),2,4-triene-7-carboxylic acid
CID 7055821
(1S)-4,5,6-trimethoxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 71405237
1-(4-methoxy-3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 54964622
8-chloro-7-methoxy-1-methyl-2,3,4,5-tetrahydro-1-benzazepine-5-carboxylic acid
CID 82625518
5,6-dimethoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 10561783
ethane;1-[4-(2-fluoro-4-methoxy-5-methylphenyl)piperidin-1-yl]propan-1-one;methanol
CID 143502107
(5R,8S)-3,8-dimethyl-5-propan-2-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 13368072
1-(4,5-dimethoxy-2-methylphenyl)sulfonyl-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 136541755
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
CID 67026980
CID 67026980
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595

Frequently Asked Questions

What is the IUPAC name of (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The IUPAC name of (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (CID 132934584) is (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid.
What is the SMILES notation for (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The canonical SMILES for (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is COc1cc2c(cc1C)[C@H](C(C)C)CCC2C(=O)O.
What is the InChIKey of (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
The InChIKey is TZLBIEKHFHDXHJ-PXYINDEMSA-N. The full InChI is InChI=1S/C16H22O3/c1-9(2)11-5-6-12(16(17)18)14-8-15(19-4)10(3)7-13(11)14/h7-9,11-12H,5-6H2,1-4H3,(H,17,18)/t11-,12?/m0/s1.
What are the key properties of (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid?
(4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid has a molecular weight of 262.35 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7-methoxy-6-methyl-4-propan-2-yl-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid is sourced from PubChem (CID 132934584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).