3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol

C17H18O2 — CID 61080777

IUPAC3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H18O2/c1-12-5-2-3-7-15(12)17(18)14-8-9-16-13(11-14)6-4-10-19-16/h2-3,5,7-9,11,17-18H,4,6,10H2,1H3
InChIKeyPHFVGAYOFYWHAD-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.40
Rot. Bonds2

About 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol

3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol (PubChem CID 61080777) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
PubChem CID61080777
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)c1ccc2c(c1)CCCO2
InChIInChI=1S/C17H18O2/c1-12-5-2-3-7-15(12)17(18)14-8-9-16-13(11-14)6-4-10-19-16/h2-3,5,7-9,11,17-18H,4,6,10H2,1H3
InChIKeyPHFVGAYOFYWHAD-UHFFFAOYSA-N
XLogP3.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
CID 61083091
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
(2,4-dibromophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955593
3,4-dihydro-2H-chromen-6-yl-(2,3,4-trifluorophenyl)methanol
CID 79756720
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 105125287
1-(3,4-dihydro-2H-chromen-6-yl)-2-(3,4-dimethylphenyl)ethanol
CID 62538318
6-[bromo-(2-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 61097211
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol (CID 61080777) is 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol is Cc1ccccc1C(O)c1ccc2c(c1)CCCO2.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol?
The InChIKey is PHFVGAYOFYWHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-5-2-3-7-15(12)17(18)14-8-9-16-13(11-14)6-4-10-19-16/h2-3,5,7-9,11,17-18H,4,6,10H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol?
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol has a molecular weight of 254.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol is sourced from PubChem (CID 61080777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).