methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

C24H30O4 — CID 143278499

IUPACmethyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCCC1Cc2cc(OC)cc(C(=O)OC)c2CC1c1ccc(OC)cc1
InChIInChI=1S/C24H30O4/c1-5-6-7-17-12-18-13-20(27-3)14-23(24(25)28-4)22(18)15-21(17)16-8-10-19(26-2)11-9-16/h8-11,13-14,17,21H,5-7,12,15H2,1-4H3
InChIKeyBDMLVNCDCUFNFO-UHFFFAOYSA-N
MW382.50 g/mol
LogP5.18
Rot. Bonds7

About methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate

methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (PubChem CID 143278499) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
PubChem CID143278499
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Namemethyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate
SMILESCCCCC1Cc2cc(OC)cc(C(=O)OC)c2CC1c1ccc(OC)cc1
InChIInChI=1S/C24H30O4/c1-5-6-7-17-12-18-13-20(27-3)14-23(24(25)28-4)22(18)15-21(17)16-8-10-19(26-2)11-9-16/h8-11,13-14,17,21H,5-7,12,15H2,1-4H3
InChIKeyBDMLVNCDCUFNFO-UHFFFAOYSA-N
XLogP5.18
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate with MolForge

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Related Compounds

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CID 59504340
methyl 5-[4-(4-butylcyclohexyl)benzoyl]oxy-2-cyanobenzoate
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4-[(1S,3S)-3-butyl-6-methoxy-2-propanoyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopropylbenzamide
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CID 43160491
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
tert-butyl (1R,3S)-3-butyl-6-methoxy-1-(6-methoxycarbonyl-3-pyridinyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 155138581
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methyl 6-(4-methoxyphenoxy)-2-methyl-2,3-dihydro-1-benzofuran-4-carboxylate
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trans-(2R,3R)-3-butyl-2-(4-methoxyphenyl)cyclohexan-1-one
CID 134968216
methyl 2-amino-6-hydroxy-2,3-dihydro-1H-indene-4-carboxylate
CID 166125485
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890
4-[(1S,3S)-3-butyl-6-methoxy-2-prop-2-ynoyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopropylbenzamide
CID 139446971

Frequently Asked Questions

What is the IUPAC name of methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The IUPAC name of methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate (CID 143278499) is methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The canonical SMILES for methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is CCCCC1Cc2cc(OC)cc(C(=O)OC)c2CC1c1ccc(OC)cc1.
What is the InChIKey of methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
The InChIKey is BDMLVNCDCUFNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-5-6-7-17-12-18-13-20(27-3)14-23(24(25)28-4)22(18)15-21(17)16-8-10-19(26-2)11-9-16/h8-11,13-14,17,21H,5-7,12,15H2,1-4H3.
What are the key properties of methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate?
methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7R)-6-butyl-3-methoxy-7-(4-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylate is sourced from PubChem (CID 143278499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).