4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene

C19H22O2 — CID 104771996

IUPAC4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESCC(C)c1ccccc1OCC1CCOc2ccccc21
InChIInChI=1S/C19H22O2/c1-14(2)16-7-3-5-9-18(16)21-13-15-11-12-20-19-10-6-4-8-17(15)19/h3-10,14-15H,11-13H2,1-2H3
InChIKeyDHCBRDZCEKCVIA-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.76
Rot. Bonds4

About 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene

4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene (PubChem CID 104771996) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
PubChem CID104771996
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene
SMILESCC(C)c1ccccc1OCC1CCOc2ccccc21
InChIInChI=1S/C19H22O2/c1-14(2)16-7-3-5-9-18(16)21-13-15-11-12-20-19-10-6-4-8-17(15)19/h3-10,14-15H,11-13H2,1-2H3
InChIKeyDHCBRDZCEKCVIA-UHFFFAOYSA-N
XLogP4.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]ethanamine
CID 104768135
2-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenol
CID 104768812
4-[(2-iodophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 113451150
4-[(2,3-dimethylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 103432382
4-[(4-fluorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104771987
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
4-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-3,4-dihydro-2H-chromene
CID 104768778
[2-(3,4-dihydro-2H-chromen-4-ylmethoxy)-5-fluorophenyl]methanol
CID 107698362
5-bromo-2-(3,4-dihydro-2H-chromen-4-ylmethoxy)aniline
CID 104768072
4-[(5-bromo-2-chlorophenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768530
(1S)-1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]propan-1-amine
CID 79218494
[3-bromo-4-(3,4-dihydro-2H-chromen-4-ylmethoxy)phenyl]methanol
CID 104768732

Frequently Asked Questions

What is the IUPAC name of 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The IUPAC name of 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene (CID 104771996) is 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene is CC(C)c1ccccc1OCC1CCOc2ccccc21.
What is the InChIKey of 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene?
The InChIKey is DHCBRDZCEKCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)16-7-3-5-9-18(16)21-13-15-11-12-20-19-10-6-4-8-17(15)19/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene?
4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene has a molecular weight of 282.38 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-propan-2-ylphenoxy)methyl]-3,4-dihydro-2H-chromene is sourced from PubChem (CID 104771996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).