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

C17H18O2 — CID 63709198

IUPAC3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2CCOc3ccccc32)cc1
InChIInChI=1S/C17H18O2/c1-12-6-8-13(9-7-12)17(18)15-10-11-19-16-5-3-2-4-14(15)16/h2-9,15,17-18H,10-11H2,1H3
InChIKeyKDZUDSVBVCRQSE-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.59
Rot. Bonds2

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

3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol (PubChem CID 63709198) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
PubChem CID63709198
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol
SMILESCc1ccc(C(O)C2CCOc3ccccc32)cc1
InChIInChI=1S/C17H18O2/c1-12-6-8-13(9-7-12)17(18)15-10-11-19-16-5-3-2-4-14(15)16/h2-9,15,17-18H,10-11H2,1H3
InChIKeyKDZUDSVBVCRQSE-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dihydro-2H-chromen-4-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 55225890
(5-bromo-4-methylthiophen-2-yl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 79990942
2-(3,4-dihydro-2H-chromen-4-yl)propan-1-ol
CID 130128093
1-(3,4-dihydro-2H-chromen-4-yl)butan-1-ol
CID 65411536
1-(3,4-dihydro-2H-chromen-4-yl)-2-methylbutan-1-ol
CID 79446143
cyclohexen-1-yl(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709562
4-[bromo-(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63710823
(2,4-difluorophenyl)-(3,4-dihydro-2H-chromen-4-yl)methanol
CID 63709739
methyl 5-[3,4-dihydro-2H-chromen-4-yl(hydroxy)methyl]furan-2-carboxylate
CID 106947127
1-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 65409875
4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-3,4-dihydro-2H-chromene
CID 63711003
1-(3,4-dihydro-2H-chromen-4-yl)-4,4,4-trifluorobutan-1-ol
CID 65410168

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol (CID 63709198) is 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol is Cc1ccc(C(O)C2CCOc3ccccc32)cc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol?
The InChIKey is KDZUDSVBVCRQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-12-6-8-13(9-7-12)17(18)15-10-11-19-16-5-3-2-4-14(15)16/h2-9,15,17-18H,10-11H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol?
3,4-dihydro-2H-chromen-4-yl-(4-methylphenyl)methanol has a molecular weight of 254.33 g/mol, XLogP of 3.59, 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-4-yl-(4-methylphenyl)methanol is sourced from PubChem (CID 63709198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).