5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol

C14H20O2 — CID 104771921

IUPAC5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
SMILESCC(O)CCCC1CCOc2ccccc21
InChIInChI=1S/C14H20O2/c1-11(15)5-4-6-12-9-10-16-14-8-3-2-7-13(12)14/h2-3,7-8,11-12,15H,4-6,9-10H2,1H3
InChIKeyVZYREGPWXYIJSD-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.10
Rot. Bonds4

About 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol

5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol (PubChem CID 104771921) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol.

Molecular Properties

Compound Name5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
PubChem CID104771921
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol
SMILESCC(O)CCCC1CCOc2ccccc21
InChIInChI=1S/C14H20O2/c1-11(15)5-4-6-12-9-10-16-14-8-3-2-7-13(12)14/h2-3,7-8,11-12,15H,4-6,9-10H2,1H3
InChIKeyVZYREGPWXYIJSD-UHFFFAOYSA-N
XLogP3.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-dihydro-2H-chromen-4-yl)-1-iodobutan-1-amine
CID 118889673
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
4-(3,4-dihydro-2H-chromen-4-yl)butanoic acid
CID 104772494
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-ol
CID 104769238
1-(3,4-dihydro-2H-chromen-4-yl)heptan-4-one
CID 104771801
1-cyclopropyl-4-(3,4-dihydro-2H-chromen-4-yl)-N-propylbutan-1-amine
CID 104771883
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
ethane;4-ethyl-3,4-dihydro-2H-chromene
CID 169111717
2-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-methylbutanoic acid
CID 113451184
1-(3,4-dihydro-2H-chromen-4-yl)-3-hydroxyhexan-2-one
CID 103454025
4-(3,4-dihydro-2H-chromen-4-yl)-2-methyl-N-propylbutan-1-amine
CID 104771888

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol?
The IUPAC name of 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol (CID 104771921) is 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol.
What is the SMILES notation for 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol?
The canonical SMILES for 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol is CC(O)CCCC1CCOc2ccccc21.
What is the InChIKey of 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol?
The InChIKey is VZYREGPWXYIJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(15)5-4-6-12-9-10-16-14-8-3-2-7-13(12)14/h2-3,7-8,11-12,15H,4-6,9-10H2,1H3.
What are the key properties of 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol?
5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol has a molecular weight of 220.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-2H-chromen-4-yl)pentan-2-ol is sourced from PubChem (CID 104771921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).