4-butyl-4-phenyl-2,3-dihydrochromene

C19H22O — CID 5169021

IUPAC4-butyl-4-phenyl-2,3-dihydrochromene
SMILESCCCCC1(c2ccccc2)CCOc2ccccc21
InChIInChI=1S/C19H22O/c1-2-3-13-19(16-9-5-4-6-10-16)14-15-20-18-12-8-7-11-17(18)19/h4-12H,2-3,13-15H2,1H3
InChIKeyRNYCICHDKHFEOT-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.95
Rot. Bonds4

About 4-butyl-4-phenyl-2,3-dihydrochromene

4-butyl-4-phenyl-2,3-dihydrochromene (PubChem CID 5169021) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-butyl-4-phenyl-2,3-dihydrochromene.

Molecular Properties

Compound Name4-butyl-4-phenyl-2,3-dihydrochromene
PubChem CID5169021
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name4-butyl-4-phenyl-2,3-dihydrochromene
SMILESCCCCC1(c2ccccc2)CCOc2ccccc21
InChIInChI=1S/C19H22O/c1-2-3-13-19(16-9-5-4-6-10-16)14-15-20-18-12-8-7-11-17(18)19/h4-12H,2-3,13-15H2,1H3
InChIKeyRNYCICHDKHFEOT-UHFFFAOYSA-N
XLogP4.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-butyl-2,3-dihydrochromen-4-yl)methanamine
CID 65407498
N-methyl-3-(3-phenyl-2H-1-benzofuran-3-yl)propan-1-amine;hydrochloride
CID 23311337
[(1S)-1-butyl-2-methylidenecyclopropyl]benzene
CID 102163735
[4-(ethylamino)-2,3-dihydrochromen-4-yl]methanol
CID 61048933
3a-butyl-6a-phenyl-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978638
(1-butylcyclobutyl)benzene
CID 57200184
(4-methyl-2,3-dihydrochromen-4-yl)methanamine
CID 65408065
(9-hexylxanthen-9-yl)methanol
CID 59778269
4,4-diiodo-2,3-dihydrochromene
CID 138563808
4-(4,4-dimethylpentyl)-2,3-dihydrochromen-4-amine
CID 114210547
(4R)-4-(dimethylamino)-2,3-dihydrochromene-4-carboxylic acid
CID 51887898
4-(3-methylbutyl)-2,3-dihydrochromene-4-carboxylic acid
CID 65408891

Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-phenyl-2,3-dihydrochromene?
The IUPAC name of 4-butyl-4-phenyl-2,3-dihydrochromene (CID 5169021) is 4-butyl-4-phenyl-2,3-dihydrochromene.
What is the SMILES notation for 4-butyl-4-phenyl-2,3-dihydrochromene?
The canonical SMILES for 4-butyl-4-phenyl-2,3-dihydrochromene is CCCCC1(c2ccccc2)CCOc2ccccc21.
What is the InChIKey of 4-butyl-4-phenyl-2,3-dihydrochromene?
The InChIKey is RNYCICHDKHFEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-2-3-13-19(16-9-5-4-6-10-16)14-15-20-18-12-8-7-11-17(18)19/h4-12H,2-3,13-15H2,1H3.
What are the key properties of 4-butyl-4-phenyl-2,3-dihydrochromene?
4-butyl-4-phenyl-2,3-dihydrochromene has a molecular weight of 266.38 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-phenyl-2,3-dihydrochromene is sourced from PubChem (CID 5169021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).