cyclohexylcyclohexane;2-hydroxybenzoic acid

C19H28O3 — CID 70398658

IUPACcyclohexylcyclohexane;2-hydroxybenzoic acid
SMILESC1CCC(C2CCCCC2)CC1.O=C(O)c1ccccc1O
InChIInChI=1S/C12H22.C7H6O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-12H,1-10H2;1-4,8H,(H,9,10)
InChIKeyVNUCEWDSWPVTMN-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.24
Rot. Bonds2

About cyclohexylcyclohexane;2-hydroxybenzoic acid

cyclohexylcyclohexane;2-hydroxybenzoic acid (PubChem CID 70398658) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is cyclohexylcyclohexane;2-hydroxybenzoic acid.

Molecular Properties

Compound Namecyclohexylcyclohexane;2-hydroxybenzoic acid
PubChem CID70398658
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Namecyclohexylcyclohexane;2-hydroxybenzoic acid
SMILESC1CCC(C2CCCCC2)CC1.O=C(O)c1ccccc1O
InChIInChI=1S/C12H22.C7H6O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-12H,1-10H2;1-4,8H,(H,9,10)
InChIKeyVNUCEWDSWPVTMN-UHFFFAOYSA-N
XLogP5.24
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 175577732
CID 175577732
2-hydroxybenzoic acid;silver
CID 87326670
bis(2-hydroxybenzoic acid);sulfane
CID 172742301
CID 87183669
CID 87183669
2-hydroxybenzoic acid;hydrobromide
CID 70122828
gadolinium;tris(2-hydroxybenzoic acid)
CID 135122115
chromium;2-hydroxybenzoic acid
CID 87079476
2-hydroxybenzoic acid;praseodymium
CID 87786006
2-hydroxybenzoic acid;bis(yttrium)
CID 20697161
strontium;hydride;2-hydroxybenzoic acid
CID 172999910
2-hydroxybenzoic acid;hypochlorous acid
CID 68579561
azanide;2-hydroxybenzoic acid;platinum(2+)
CID 59733827

Frequently Asked Questions

What is the IUPAC name of cyclohexylcyclohexane;2-hydroxybenzoic acid?
The IUPAC name of cyclohexylcyclohexane;2-hydroxybenzoic acid (CID 70398658) is cyclohexylcyclohexane;2-hydroxybenzoic acid.
What is the SMILES notation for cyclohexylcyclohexane;2-hydroxybenzoic acid?
The canonical SMILES for cyclohexylcyclohexane;2-hydroxybenzoic acid is C1CCC(C2CCCCC2)CC1.O=C(O)c1ccccc1O.
What is the InChIKey of cyclohexylcyclohexane;2-hydroxybenzoic acid?
The InChIKey is VNUCEWDSWPVTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C7H6O3/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;8-6-4-2-1-3-5(6)7(9)10/h11-12H,1-10H2;1-4,8H,(H,9,10).
What are the key properties of cyclohexylcyclohexane;2-hydroxybenzoic acid?
cyclohexylcyclohexane;2-hydroxybenzoic acid has a molecular weight of 304.43 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylcyclohexane;2-hydroxybenzoic acid is sourced from PubChem (CID 70398658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).