2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol

C25H32O3 — CID 155031679

IUPAC2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol
SMILESCOc1ccc(Cc2cc(C3CC(O)CC(C)O3)c(C)c3c2CCCC3)cc1
InChIInChI=1S/C25H32O3/c1-16-12-20(26)15-25(28-16)24-14-19(13-18-8-10-21(27-3)11-9-18)23-7-5-4-6-22(23)17(24)2/h8-11,14,16,20,25-26H,4-7,12-13,15H2,1-3H3
InChIKeyAJHJFGBINRBLNN-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.07
Rot. Bonds4

About 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol

2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol (PubChem CID 155031679) has the molecular formula C25H32O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol
PubChem CID155031679
Molecular FormulaC25H32O3
Molecular Weight380.53 g/mol
Exact Mass380.24
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol
SMILESCOc1ccc(Cc2cc(C3CC(O)CC(C)O3)c(C)c3c2CCCC3)cc1
InChIInChI=1S/C25H32O3/c1-16-12-20(26)15-25(28-16)24-14-19(13-18-8-10-21(27-3)11-9-18)23-7-5-4-6-22(23)17(24)2/h8-11,14,16,20,25-26H,4-7,12-13,15H2,1-3H3
InChIKeyAJHJFGBINRBLNN-UHFFFAOYSA-N
XLogP5.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol
CID 144713732
2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-propyl-2,3-dihydro-1H-inden-5-yl]oxan-4-ol
CID 155031713
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1H-inden-5-yl]oxane-3,4,5-triol
CID 130226072
(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
CID 142057774
(2S,3R,4R,5S,6R)-2-(hydroxymethyl)-6-[3-[(4-methoxyphenyl)methyl]-4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl]oxane-3,4,5-triol
CID 85473067
(2S,6R)-2-(hydroxymethyl)-6-[7-[(4-methoxyphenyl)methyl]-4-methyl-2,3-dihydro-1-benzofuran-5-yl]oxan-4-one
CID 163964942
2-[4-chloro-5-[(4-methoxyphenyl)methyl]-2,2-dimethyl-3H-1-benzofuran-7-yl]-6-(hydroxymethyl)oxan-4-ol
CID 137410194
2-[4-ethyl-7-[(4-methylphenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-6-(hydroxymethyl)oxan-4-ol
CID 155031705
(2R,3S,4S,5R,6S)-2-[7-bromo-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 134137643
2-[7-chloro-6-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-inden-4-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 78002969
acetylene;(2R,4S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
CID 145480632
2-[2-ethoxy-5-[(4-ethoxyphenyl)methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 145041957

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol (CID 155031679) is 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol is COc1ccc(Cc2cc(C3CC(O)CC(C)O3)c(C)c3c2CCCC3)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol?
The InChIKey is AJHJFGBINRBLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O3/c1-16-12-20(26)15-25(28-16)24-14-19(13-18-8-10-21(27-3)11-9-18)23-7-5-4-6-22(23)17(24)2/h8-11,14,16,20,25-26H,4-7,12-13,15H2,1-3H3.
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol?
2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol has a molecular weight of 380.53 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol is sourced from PubChem (CID 155031679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).