7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene

C19H20F2O — CID 126578543

IUPAC7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(C(C)c2cc3c(c(F)c2F)OC(C)CC3)cc1
InChIInChI=1S/C19H20F2O/c1-11-4-7-14(8-5-11)13(3)16-10-15-9-6-12(2)22-19(15)18(21)17(16)20/h4-5,7-8,10,12-13H,6,9H2,1-3H3
InChIKeyWPGXWKVVPWOUHS-UHFFFAOYSA-N
MW302.36 g/mol
LogP5.14
Rot. Bonds2

About 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene

7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene (PubChem CID 126578543) has the molecular formula C19H20F2O and a molecular weight of 302.36 g/mol. Its IUPAC name is 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene
PubChem CID126578543
Molecular FormulaC19H20F2O
Molecular Weight302.36 g/mol
Exact Mass302.15
IUPAC Name7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene
SMILESCc1ccc(C(C)c2cc3c(c(F)c2F)OC(C)CC3)cc1
InChIInChI=1S/C19H20F2O/c1-11-4-7-14(8-5-11)13(3)16-10-15-9-6-12(2)22-19(15)18(21)17(16)20/h4-5,7-8,10,12-13H,6,9H2,1-3H3
InChIKeyWPGXWKVVPWOUHS-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene 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

6-(4-ethylphenyl)-7,8-difluoro-2-methyl-3,4-dihydro-2H-chromene
CID 69234280
8-(difluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795057
1-(2,6-dimethyl-3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 117097187
4,6-difluoro-3,7-dimethyldibenzofuran;bis(7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene)
CID 158886746
4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 161217958
8-chloro-7-fluoro-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795393
8-(fluoromethyl)-2,6-dimethyl-3,4-dihydro-2H-chromene
CID 59795217
1-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethanol
CID 117283229
4,6-difluoro-3,7-dimethyldibenzofuran;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,8-difluoro-2,7-dimethylphenanthrene;3,4,5,6-tetrafluoro-2,7-dimethylphenanthrene
CID 158318873
4-methyl-2-[1-(4-methylphenyl)ethyl]phenol
CID 46930570
2,5,8-trimethyl-3,4-dihydro-2H-chromene
CID 167473800
7,8-difluoro-6-[[4-(4-iodocyclohexyl)cyclohexyl]methoxy]-2-methyl-3,4-dihydro-2H-chromene
CID 90278325

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene (CID 126578543) is 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene is Cc1ccc(C(C)c2cc3c(c(F)c2F)OC(C)CC3)cc1.
What is the InChIKey of 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene?
The InChIKey is WPGXWKVVPWOUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2O/c1-11-4-7-14(8-5-11)13(3)16-10-15-9-6-12(2)22-19(15)18(21)17(16)20/h4-5,7-8,10,12-13H,6,9H2,1-3H3.
What are the key properties of 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene?
7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene has a molecular weight of 302.36 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-2-methyl-6-[1-(4-methylphenyl)ethyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 126578543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).