(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol

C19H22O2 — CID 142057807

IUPAC(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol
SMILESCc1ccc(-c2cccc([C@H]3C[C@@H](O)C[C@@H](C)O3)c2)cc1
InChIInChI=1S/C19H22O2/c1-13-6-8-15(9-7-13)16-4-3-5-17(11-16)19-12-18(20)10-14(2)21-19/h3-9,11,14,18-20H,10,12H2,1-2H3/t14-,18+,19-/m1/s1
InChIKeyOMSWKQCRSIGLPN-MDASCCDHSA-N
MW282.38 g/mol
LogP4.26
Rot. Bonds2

About (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol

(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol (PubChem CID 142057807) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol
PubChem CID142057807
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol
SMILESCc1ccc(-c2cccc([C@H]3C[C@@H](O)C[C@@H](C)O3)c2)cc1
InChIInChI=1S/C19H22O2/c1-13-6-8-15(9-7-13)16-4-3-5-17(11-16)19-12-18(20)10-14(2)21-19/h3-9,11,14,18-20H,10,12H2,1-2H3/t14-,18+,19-/m1/s1
InChIKeyOMSWKQCRSIGLPN-MDASCCDHSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
2-[3-(4-methylphenyl)phenyl]-1,3-dioxolane
CID 170874299
(2R,4S,6R)-2-[3-[(4-methoxyphenyl)methyl]phenyl]-6-methyloxan-4-ol
CID 142057774
2-[3-[[4-(4-methoxyphenyl)phenyl]methyl]-4-methylphenyl]-6-methyloxan-4-ol
CID 144713732
3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479897
1-(4,6-dimethylcyclohexa-2,4-dien-1-yl)-3-(4-methylphenyl)benzene
CID 143848256
ethane;3-methyl-1-[3-(4-methylphenyl)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 166479896
3-[3-(4-methylphenyl)phenyl]pyrrolidine
CID 82292012
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
1,3-dimethyl-5-[3-(6-methylcyclohexa-2,4-dien-1-yl)phenyl]benzene
CID 123830734

Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol?
The IUPAC name of (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol (CID 142057807) is (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol?
The canonical SMILES for (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol is Cc1ccc(-c2cccc([C@H]3C[C@@H](O)C[C@@H](C)O3)c2)cc1.
What is the InChIKey of (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol?
The InChIKey is OMSWKQCRSIGLPN-MDASCCDHSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-6-8-15(9-7-13)16-4-3-5-17(11-16)19-12-18(20)10-14(2)21-19/h3-9,11,14,18-20H,10,12H2,1-2H3/t14-,18+,19-/m1/s1.
What are the key properties of (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol?
(2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol has a molecular weight of 282.38 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-2-methyl-6-[3-(4-methylphenyl)phenyl]oxan-4-ol is sourced from PubChem (CID 142057807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).