4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran

C20H22O2 — CID 154712619

IUPAC4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran
SMILESCOc1ccc(C2=CC(C)(C)OC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22O2/c1-20(2)14-17(15-9-11-18(21-3)12-10-15)13-19(22-20)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3
InChIKeyIRNPRTVXACLBBB-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.02
Rot. Bonds3

About 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran

4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran (PubChem CID 154712619) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran
PubChem CID154712619
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran
SMILESCOc1ccc(C2=CC(C)(C)OC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H22O2/c1-20(2)14-17(15-9-11-18(21-3)12-10-15)13-19(22-20)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3
InChIKeyIRNPRTVXACLBBB-UHFFFAOYSA-N
XLogP5.02
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-bis(4-methoxyphenyl)-2,3-dihydropyran-6-one
CID 71347213
6-(4-methoxyphenyl)-2-phenyl-4,5-dihydro-1,3-dioxepine
CID 139648138
1-(3,5-diphenylcyclopent-2-en-1-yl)-4-methoxybenzene
CID 78120587
(5S)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazole
CID 102399279
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-methoxy-4-(3-phenylcyclobutyl)benzene
CID 125465439
3-(4-methoxyphenyl)-5-phenyl-1,4,2-dioxazole
CID 590944
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
(3R,8S,8aS)-8-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 102024515
(E)-1-[(1S,2R,6R)-2-hydroxy-2,4-bis(4-methoxyphenyl)-6-phenylcyclohex-3-en-1-yl]-3-phenylprop-2-en-1-one
CID 51722306
2-(4-methoxyphenyl)-1-oxaspiro[4.5]decan-4-one
CID 71394804
1-methoxy-4-(2-phenylcyclopenten-1-yl)benzene
CID 13444266

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran?
The IUPAC name of 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran (CID 154712619) is 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran.
What is the SMILES notation for 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran?
The canonical SMILES for 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran is COc1ccc(C2=CC(C)(C)OC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran?
The InChIKey is IRNPRTVXACLBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-20(2)14-17(15-9-11-18(21-3)12-10-15)13-19(22-20)16-7-5-4-6-8-16/h4-12,14,19H,13H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran?
4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran has a molecular weight of 294.39 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6,6-dimethyl-2-phenyl-2,3-dihydropyran is sourced from PubChem (CID 154712619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).