(4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate

C19H18O2 — CID 147597411

IUPAC(4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate
SMILESCc1ccc(OC(=O)C2=Cc3ccc(C)cc3CC2)cc1
InChIInChI=1S/C19H18O2/c1-13-4-9-18(10-5-13)21-19(20)17-8-7-15-11-14(2)3-6-16(15)12-17/h3-6,9-12H,7-8H2,1-2H3
InChIKeyFZLNFIUSFGOLIK-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.24
Rot. Bonds2

About (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate

(4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate (PubChem CID 147597411) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate.

Molecular Properties

Compound Name(4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate
PubChem CID147597411
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name(4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate
SMILESCc1ccc(OC(=O)C2=Cc3ccc(C)cc3CC2)cc1
InChIInChI=1S/C19H18O2/c1-13-4-9-18(10-5-13)21-19(20)17-8-7-15-11-14(2)3-6-16(15)12-17/h3-6,9-12H,7-8H2,1-2H3
InChIKeyFZLNFIUSFGOLIK-UHFFFAOYSA-N
XLogP4.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

tris(4-methylphenyl) benzene-1,3,5-tricarboxylate
CID 54080093
[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
CID 576898
(4-methylphenyl) 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125986
methane;[4-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate;bis((4-methylphenyl) 4-methylbenzoate)
CID 157062010
[4-(4-methylphenyl)phenyl] 4-methylbenzoate
CID 3092081
ethane;[4-(4-methylphenoxy)carbonylphenyl] 4-(4-methylphenyl)benzoate
CID 91606388
[4-(4-methylphenyl)phenyl] 4-[2-(4-methylphenyl)-2-oxoacetyl]benzoate
CID 162123993
[4-(6-hydroxynaphthalene-2-carbonyl)oxyphenyl] 6-methylnaphthalene-2-carboxylate
CID 89329145
[4-(1H-indene-2-carbonyloxy)phenyl]-diphenylsulfanium
CID 58372359
[6-[4-(4-hydroxybenzoyl)oxyphenyl]-7,8-dihydronaphthalen-2-yl] 4-aminobenzoate
CID 145268209
bis(4-methylphenyl) 2,4,6-trimethylbenzene-1,3-dicarboxylate
CID 34063964
formaldehyde;(4-methylphenyl) benzoate
CID 143467602

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate?
The IUPAC name of (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate (CID 147597411) is (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate.
What is the SMILES notation for (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate?
The canonical SMILES for (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate is Cc1ccc(OC(=O)C2=Cc3ccc(C)cc3CC2)cc1.
What is the InChIKey of (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate?
The InChIKey is FZLNFIUSFGOLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-13-4-9-18(10-5-13)21-19(20)17-8-7-15-11-14(2)3-6-16(15)12-17/h3-6,9-12H,7-8H2,1-2H3.
What are the key properties of (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate?
(4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 6-methyl-3,4-dihydronaphthalene-2-carboxylate is sourced from PubChem (CID 147597411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).