2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol

C18H18O2 — CID 114715024

IUPAC2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cccc(C3CC3)c2)Oc2ccccc21
InChIInChI=1S/C18H18O2/c19-16-11-18(20-17-7-2-1-6-15(16)17)14-5-3-4-13(10-14)12-8-9-12/h1-7,10,12,16,18-19H,8-9,11H2
InChIKeyCDQIGFCHEGPDBL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.12
Rot. Bonds2

About 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol

2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715024) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715024
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cccc(C3CC3)c2)Oc2ccccc21
InChIInChI=1S/C18H18O2/c19-16-11-18(20-17-7-2-1-6-15(16)17)14-5-3-4-13(10-14)12-8-9-12/h1-7,10,12,16,18-19H,8-9,11H2
InChIKeyCDQIGFCHEGPDBL-UHFFFAOYSA-N
XLogP4.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 6923720
2-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714953
2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 72766058
(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,4-dihydro-2H-chromen-4-ol
CID 11277233
(4S)-2-(3-propoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949995
(2R,4R)-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 92935775
(4S)-2-(3-bromo-4-chlorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104949823
(4S)-2-(3-bromo-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 105404380
2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715039
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
(2S,4S)-2-naphthalen-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 134948340
(4R)-2-(2,4-dimethylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104950234

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114715024) is 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2cccc(C3CC3)c2)Oc2ccccc21.
What is the InChIKey of 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is CDQIGFCHEGPDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c19-16-11-18(20-17-7-2-1-6-15(16)17)14-5-3-4-13(10-14)12-8-9-12/h1-7,10,12,16,18-19H,8-9,11H2.
What are the key properties of 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol?
2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 266.34 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).