4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid

C19H26O2 — CID 79423048

IUPAC4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(CC2CCCc3ccccc32)(C(=O)O)CC1
InChIInChI=1S/C19H26O2/c1-14-9-11-19(12-10-14,18(20)21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3,(H,20,21)
InChIKeyYJSZFGIIOFKNIT-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.78
Rot. Bonds3

About 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid

4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid (PubChem CID 79423048) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
PubChem CID79423048
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
SMILESCC1CCC(CC2CCCc3ccccc32)(C(=O)O)CC1
InChIInChI=1S/C19H26O2/c1-14-9-11-19(12-10-14,18(20)21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3,(H,20,21)
InChIKeyYJSZFGIIOFKNIT-UHFFFAOYSA-N
XLogP4.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)thiolane-3-carboxylic acid
CID 115337961
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-4-methylcyclohexane-1-carboxylic acid
CID 79226557
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 79429686
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cycloheptane-1-carboxylic acid
CID 79429413
1-[(2S,4S)-4-methylpyrrolidin-2-yl]-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]ethanone
CID 167540854
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63772469
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
CID 63772638
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)propanoic acid
CID 55242082
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 79425894
1-[(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115451567
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
CID 55243443
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid (CID 79423048) is 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid is CC1CCC(CC2CCCc3ccccc32)(C(=O)O)CC1.
What is the InChIKey of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
The InChIKey is YJSZFGIIOFKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-14-9-11-19(12-10-14,18(20)21)13-16-7-4-6-15-5-2-3-8-17(15)16/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3,(H,20,21).
What are the key properties of 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid?
4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid has a molecular weight of 286.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79423048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).