4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid

C16H22O4 — CID 71350280

IUPAC4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
SMILESCOCC1CCC(COc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C16H22O4/c1-19-10-12-2-4-13(5-3-12)11-20-15-8-6-14(7-9-15)16(17)18/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyKUFCBLMMGRPWBN-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.22
Rot. Bonds6

About 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid

4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid (PubChem CID 71350280) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid.

Molecular Properties

Compound Name4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
PubChem CID71350280
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid
SMILESCOCC1CCC(COc2ccc(C(=O)O)cc2)CC1
InChIInChI=1S/C16H22O4/c1-19-10-12-2-4-13(5-3-12)11-20-15-8-6-14(7-9-15)16(17)18/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyKUFCBLMMGRPWBN-UHFFFAOYSA-N
XLogP3.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[4-(methoxymethyl)cyclohexyl]methoxy]phenyl] acetate
CID 139651935
4-[(3-methylcyclohexyl)methoxy]benzoic acid
CID 114197046
4-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzoic acid
CID 64582622
benzoic acid;methoxymethylcyclohexane
CID 175415905
4-(cyclopropylmethoxy)-N-ethylbenzamide
CID 60572461
[4-(cyclopropylmethoxy)phenyl] acetate
CID 91264469
3-[[4-(cyclopropylmethoxy)benzoyl]amino]-4,5-dimethoxybenzoic acid
CID 119214222
2-[[4-(cyclopropylmethoxy)benzoyl]amino]acetic acid
CID 66812671
1-[4-[(4-propylcyclohexyl)methoxy]phenyl]prop-2-en-1-one
CID 59695761
3,4-bis(cyclopropylmethoxy)benzoic acid
CID 102594223
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
2-[4-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]acetamide
CID 119129466

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid?
The IUPAC name of 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid (CID 71350280) is 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid.
What is the SMILES notation for 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid?
The canonical SMILES for 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid is COCC1CCC(COc2ccc(C(=O)O)cc2)CC1.
What is the InChIKey of 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid?
The InChIKey is KUFCBLMMGRPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c1-19-10-12-2-4-13(5-3-12)11-20-15-8-6-14(7-9-15)16(17)18/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid?
4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid has a molecular weight of 278.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(methoxymethyl)cyclohexyl]methoxy]benzoic acid is sourced from PubChem (CID 71350280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).