methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane

C25H26O4 — CID 67894619

IUPACmethyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane
SMILESC1C2CC34CC1CC3(C2)C4.COC(=O)c1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H12O4.C10H14/c1-19-15(18)12-4-2-10(3-5-12)14(17)11-6-8-13(16)9-7-11;1-7-2-9-4-8(1)5-10(9,3-7)6-9/h2-9,16H,1H3;7-8H,1-6H2
InChIKeyAAYMIISCEJCXER-UHFFFAOYSA-N
MW390.48 g/mol
LogP5.00
Rot. Bonds3

About methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane

methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane (PubChem CID 67894619) has the molecular formula C25H26O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane.

Molecular Properties

Compound Namemethyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane
PubChem CID67894619
Molecular FormulaC25H26O4
Molecular Weight390.48 g/mol
Exact Mass390.18
IUPAC Namemethyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane
SMILESC1C2CC34CC1CC3(C2)C4.COC(=O)c1ccc(C(=O)c2ccc(O)cc2)cc1
InChIInChI=1S/C15H12O4.C10H14/c1-19-15(18)12-4-2-10(3-5-12)14(17)11-6-8-13(16)9-7-11;1-7-2-9-4-8(1)5-10(9,3-7)6-9/h2-9,16H,1H3;7-8H,1-6H2
InChIKeyAAYMIISCEJCXER-UHFFFAOYSA-N
XLogP5.00
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane with MolForge

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Related Compounds

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CID 174433291
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
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CID 159177716
CID 159177716
(4-methoxycarbonylphenyl) (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7956909
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
[4-[4-(4-hydroxybenzoyl)oxybenzoyl]phenyl] 4-hydroxybenzoate
CID 121312948
methyl 4-[(3R,5S)-4-oxo-1-adamantyl]benzoate
CID 10446600
4-O-[(2R)-1-(1-adamantyl)-1-oxopropan-2-yl] 1-O-methyl benzene-1,4-dicarboxylate
CID 41089219
methyl 4-[2-(1-adamantylamino)ethyl]benzoate
CID 155665355
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
trideuteriomethyl 4-hydroxybenzoate
CID 57369290

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane?
The IUPAC name of methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane (CID 67894619) is methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane.
What is the SMILES notation for methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane?
The canonical SMILES for methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane is C1C2CC34CC1CC3(C2)C4.COC(=O)c1ccc(C(=O)c2ccc(O)cc2)cc1.
What is the InChIKey of methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane?
The InChIKey is AAYMIISCEJCXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4.C10H14/c1-19-15(18)12-4-2-10(3-5-12)14(17)11-6-8-13(16)9-7-11;1-7-2-9-4-8(1)5-10(9,3-7)6-9/h2-9,16H,1H3;7-8H,1-6H2.
What are the key properties of methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane?
methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane has a molecular weight of 390.48 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxybenzoyl)benzoate;tetracyclo[3.3.1.13,7.01,3]decane is sourced from PubChem (CID 67894619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).