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

C18H24O3 — CID 114450996

IUPAC4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H24O3/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7,14-16H,3,5-6,8-12H2,(H,19,20)
InChIKeyDTGZJSBVOWSRPW-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.77
Rot. Bonds4

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

4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid (PubChem CID 114450996) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid
PubChem CID114450996
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(OCC2CCCc3ccccc32)CC1
InChIInChI=1S/C18H24O3/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7,14-16H,3,5-6,8-12H2,(H,19,20)
InChIKeyDTGZJSBVOWSRPW-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
2-methyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)piperidine
CID 55242275
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 141082859
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
4-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673678
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689
(3S)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 119174002
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]piperidine-3-carboxylic acid
CID 84588598
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66437326
1-(1,2,3,4-tetrahydronaphthalen-1-yl)azetidine-3-carboxylic acid
CID 65072102

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid (CID 114450996) is 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid is O=C(O)C1CCC(OCC2CCCc3ccccc32)CC1.
What is the InChIKey of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid?
The InChIKey is DTGZJSBVOWSRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-18(20)14-8-10-16(11-9-14)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-2,4,7,14-16H,3,5-6,8-12H2,(H,19,20).
What are the key properties of 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid?
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid has a molecular weight of 288.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114450996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).