2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one

C17H18O2 — CID 102530191

IUPAC2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c1CCCC2
InChIInChI=1S/C17H18O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-3,6-7,12H,4-5,8-11H2
InChIKeyMHLGTMMNRYVDSH-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.30
Rot. Bonds3

About 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one

2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one (PubChem CID 102530191) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
PubChem CID102530191
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
SMILESO=c1cc(CCc2ccccc2)oc2c1CCCC2
InChIInChI=1S/C17H18O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-3,6-7,12H,4-5,8-11H2
InChIKeyMHLGTMMNRYVDSH-UHFFFAOYSA-N
XLogP3.30
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5,6,7-trihydroxy-2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one
CID 163002401
7-hydroxy-2-(2-phenylethyl)chromen-4-one
CID 10890802
4-methyl-2-oxo-N-(oxolan-2-ylmethyl)-6-(2-phenylethyl)pyran-3-carboxamide
CID 169412806
3-benzyl-4-hydroxy-6,7,8,9,10,11-hexahydro-5H-cyclonona[b]pyran-2-one
CID 54731262
(5R,6S,7R)-5,6-dihydroxy-7-(hydroxymethyl)-2-(2-phenylethyl)-6,7-dihydro-5H-pyrano[2,3-b]pyran-4-one
CID 154572705
benzene;2-phenylethylbenzene
CID 18982764
2-(3-phenylpropyl)cyclohepta[b]furan-8-one
CID 11065320
3-benzyl-4-methyl-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-2-one
CID 707762
4-hydroxy-6-(2-phenylethyl)-3-(2-phenylethylsulfanyl)pyran-2-one
CID 70071089
hafnium;2-phenylethylbenzene
CID 173109801
4-methyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-6-(2-phenylethyl)pyran-2-one
CID 170507907
5-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]chromen-4-one
CID 118278480

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one?
The IUPAC name of 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one (CID 102530191) is 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one.
What is the SMILES notation for 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one?
The canonical SMILES for 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one is O=c1cc(CCc2ccccc2)oc2c1CCCC2.
What is the InChIKey of 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one?
The InChIKey is MHLGTMMNRYVDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-16-12-14(11-10-13-6-2-1-3-7-13)19-17-9-5-4-8-15(16)17/h1-3,6-7,12H,4-5,8-11H2.
What are the key properties of 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one?
2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one has a molecular weight of 254.33 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-5,6,7,8-tetrahydrochromen-4-one is sourced from PubChem (CID 102530191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).