2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol

C27H30O3 — CID 144713732

IUPAC2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol
SMILESCOc1ccc(-c2ccc(Cc3cc(C4CC(O)CC(C)O4)ccc3C)cc2)cc1
InChIInChI=1S/C27H30O3/c1-18-4-7-23(27-17-25(28)14-19(2)30-27)16-24(18)15-20-5-8-21(9-6-20)22-10-12-26(29-3)13-11-22/h4-13,16,19,25,27-28H,14-15,17H2,1-3H3
InChIKeyQSFXDFLZBGYBKB-UHFFFAOYSA-N
MW402.53 g/mol
LogP5.86
Rot. Bonds5

About 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol

2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol (PubChem CID 144713732) has the molecular formula C27H30O3 and a molecular weight of 402.53 g/mol. Its IUPAC name is 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol.

Molecular Properties

Compound Name2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol
PubChem CID144713732
Molecular FormulaC27H30O3
Molecular Weight402.53 g/mol
Exact Mass402.22
IUPAC Name2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol
SMILESCOc1ccc(-c2ccc(Cc3cc(C4CC(O)CC(C)O4)ccc3C)cc2)cc1
InChIInChI=1S/C27H30O3/c1-18-4-7-23(27-17-25(28)14-19(2)30-27)16-24(18)15-20-5-8-21(9-6-20)22-10-12-26(29-3)13-11-22/h4-13,16,19,25,27-28H,14-15,17H2,1-3H3
InChIKeyQSFXDFLZBGYBKB-UHFFFAOYSA-N
XLogP5.86
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.53
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
CID 142057774
2-[4-[(4-methoxyphenyl)methyl]-1-methyl-5,6,7,8-tetrahydronaphthalen-2-yl]-6-methyloxan-4-ol
CID 155031679
acetylene;(2R,4S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
CID 145480632
2-[3-[(4-cyclohexyloxyphenyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 77424217
2-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol;ethane;methoxymethane
CID 144801640
(2R,4S,6R)-2-(4-methoxyphenyl)-6-[2-(4-methoxyphenyl)ethyl]oxan-4-ol
CID 122367194
4-[(2R,4R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-2-[(4-methoxyphenyl)methyl]benzonitrile
CID 143526213
2-[3-[(4-ethyl-3-fluorophenyl)methyl]-4-methylphenyl]-6-(hydroxymethyl)oxan-4-ol
CID 143209493
(2R,4S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-4,6-dimethyloxane;ethane
CID 143602313
[4-[[2-chloro-5-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl] methyl carbonate
CID 143928485
2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol;ethane
CID 143981727
2-[4-bromo-3-[(4-ethoxyphenyl)methyl]phenyl]-6-(hydroxymethyl)oxan-4-ol
CID 123569394

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol?
The IUPAC name of 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol (CID 144713732) is 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol.
What is the SMILES notation for 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol?
The canonical SMILES for 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol is COc1ccc(-c2ccc(Cc3cc(C4CC(O)CC(C)O4)ccc3C)cc2)cc1.
What is the InChIKey of 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol?
The InChIKey is QSFXDFLZBGYBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O3/c1-18-4-7-23(27-17-25(28)14-19(2)30-27)16-24(18)15-20-5-8-21(9-6-20)22-10-12-26(29-3)13-11-22/h4-13,16,19,25,27-28H,14-15,17H2,1-3H3.
What are the key properties of 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol?
2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol has a molecular weight of 402.53 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol is sourced from PubChem (CID 144713732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).