methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol

C18H28O4 — CID 67919748

IUPACmethyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.COC(=O)c1ccccc1O
InChIInChI=1S/C10H20O.C8H8O3/c1-7(2)9-5-4-8(3)6-10(9)11;1-11-8(10)6-4-2-3-5-7(6)9/h7-11H,4-6H2,1-3H3;2-5,9H,1H3/t8-,9+,10-;/m1./s1
InChIKeyKNXBGPFSZNTOLE-YMQJAAJZSA-N
MW308.42 g/mol
LogP3.62
Rot. Bonds2

About methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol

methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 67919748) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Namemethyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID67919748
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Namemethyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.COC(=O)c1ccccc1O
InChIInChI=1S/C10H20O.C8H8O3/c1-7(2)9-5-4-8(3)6-10(9)11;1-11-8(10)6-4-2-3-5-7(6)9/h7-11H,4-6H2,1-3H3;2-5,9H,1H3/t8-,9+,10-;/m1./s1
InChIKeyKNXBGPFSZNTOLE-YMQJAAJZSA-N
XLogP3.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol with MolForge

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Related Compounds

methyl 2-[(5-methyl-2-propan-2-ylcyclohexanecarbonyl)amino]benzoate
CID 69229253
CID 66630118
CID 66630118
hypochlorous acid;5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174568794
methyl 2-[2-[[(1R,2S)-5-methyl-2-propan-2-ylcyclohexanecarbonyl]amino]ethyl]benzoate
CID 167121819
methyl 3-[3-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylnaphthalen-2-yl]naphthalene-2-carboxylate
CID 58719298
sodium;hydride;methyl 2-hydroxybenzoate
CID 173007756
lithium;hydride;methyl 2-hydroxybenzoate
CID 173284844
(5-methyl-2-propan-2-ylcyclohexyl) 2-chlorobenzoate
CID 71594437
2-[(1S)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonylbenzoic acid
CID 18529176
methyl 2-hydroxybenzoate;urea
CID 174888687
methyl 2-[(3R,4S)-3,4-dihydroxycyclopentyl]benzoate
CID 68811032
(5-methyl-2-propan-2-ylcyclohexyl) 2-aminobenzoate
CID 8633

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 67919748) is methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O.COC(=O)c1ccccc1O.
What is the InChIKey of methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is KNXBGPFSZNTOLE-YMQJAAJZSA-N. The full InChI is InChI=1S/C10H20O.C8H8O3/c1-7(2)9-5-4-8(3)6-10(9)11;1-11-8(10)6-4-2-3-5-7(6)9/h7-11H,4-6H2,1-3H3;2-5,9H,1H3/t8-,9+,10-;/m1./s1.
What are the key properties of methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol?
methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxybenzoate;(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 67919748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).