methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate

C20H22O4 — CID 57285351

IUPACmethyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate
SMILESCOC(=O)OC1(C)CCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C20H22O4/c1-20(24-19(21)22-2)12-6-9-16-10-11-17(13-18(16)20)23-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3
InChIKeyZFJIETBUBZWQBT-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.60
Rot. Bonds4

About methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate

methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate (PubChem CID 57285351) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate.

Molecular Properties

Compound Namemethyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate
PubChem CID57285351
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Namemethyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate
SMILESCOC(=O)OC1(C)CCCc2ccc(OCc3ccccc3)cc21
InChIInChI=1S/C20H22O4/c1-20(24-19(21)22-2)12-6-9-16-10-11-17(13-18(16)20)23-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3
InChIKeyZFJIETBUBZWQBT-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (1S)-1,4a-dimethyl-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 175611597
1,1,4,4-tetramethyl-6-phenylmethoxy-2,3-dihydronaphthalene
CID 91488860
tert-butyl-[[1-(2-ethoxy-2-oxoethyl)-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl]amino]-oxidosulfanium
CID 174147052
N-[2-[(4aS,10aR)-10a-hydroxy-6-phenylmethoxy-1,2,3,4,9,10-hexahydrophenanthren-4a-yl]ethyl]propanamide
CID 57267021
methyl 2-(2,2-dimethyl-6-phenylmethoxy-3H-inden-1-ylidene)acetate
CID 68632175
methyl 3-phenylmethoxy-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 13318628
ethane;2-(2-methoxy-2-oxoethyl)-4-phenylmethoxybenzoic acid
CID 90976255
2'-methyl-6-phenylmethoxyspiro[1,2-dihydroindene-3,1'-cyclopropane]
CID 134164541
(2,3,4,5,6-pentafluorophenyl) (1S,4aS,10aR)-1,4a-dimethyl-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CID 140948335
methyl 4-[1-(2-methoxy-2-oxoethyl)-5-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl]butanoate
CID 167092738
methyl (1S,4S,4aS,10aR)-1,4-dimethyl-6-phenylmethoxy-3,4,4a,9,10,10a-hexahydro-2H-phenanthrene-1-carboxylate
CID 175012186
(1S,4aS,10aR)-1,4a-dimethyl-N-(1-phenylcyclohexanecarbonyl)-6-phenylmethoxy-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide;(1S,4aS,10aR)-6-hydroxy-1,4a-dimethyl-N-(1-phenylcyclohexanecarbonyl)-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxamide
CID 161098330

Frequently Asked Questions

What is the IUPAC name of methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate?
The IUPAC name of methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate (CID 57285351) is methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate.
What is the SMILES notation for methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate?
The canonical SMILES for methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate is COC(=O)OC1(C)CCCc2ccc(OCc3ccccc3)cc21.
What is the InChIKey of methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate?
The InChIKey is ZFJIETBUBZWQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-20(24-19(21)22-2)12-6-9-16-10-11-17(13-18(16)20)23-14-15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3.
What are the key properties of methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate?
methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate has a molecular weight of 326.39 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1-methyl-7-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-yl) carbonate is sourced from PubChem (CID 57285351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).