(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol

C19H20F2O3 — CID 125490777

IUPAC(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
SMILESCCCCOc1ccc2c(oc3c(F)c([C@H](O)CC)ccc32)c1F
InChIInChI=1S/C19H20F2O3/c1-3-5-10-23-15-9-8-12-11-6-7-13(14(22)4-2)16(20)18(11)24-19(12)17(15)21/h6-9,14,22H,3-5,10H2,1-2H3/t14-/m1/s1
InChIKeyXAPCUGCNWWFVPH-CQSZACIVSA-N
MW334.36 g/mol
LogP5.49
Rot. Bonds6

About (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol

(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol (PubChem CID 125490777) has the molecular formula C19H20F2O3 and a molecular weight of 334.36 g/mol. Its IUPAC name is (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
PubChem CID125490777
Molecular FormulaC19H20F2O3
Molecular Weight334.36 g/mol
Exact Mass334.14
IUPAC Name(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol
SMILESCCCCOc1ccc2c(oc3c(F)c([C@H](O)CC)ccc32)c1F
InChIInChI=1S/C19H20F2O3/c1-3-5-10-23-15-9-8-12-11-6-7-13(14(22)4-2)16(20)18(11)24-19(12)17(15)21/h6-9,14,22H,3-5,10H2,1-2H3/t14-/m1/s1
InChIKeyXAPCUGCNWWFVPH-CQSZACIVSA-N
XLogP5.49
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(4,6-difluoro-7-hexoxydibenzofuran-3-yl)propan-1-ol
CID 125490766
3-butoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372770
3-butoxy-4,6-difluoro-7-methoxydibenzofuran
CID 121245755
3-ethoxy-4,6-difluoro-7-pentoxydibenzofuran
CID 118372758
3-butoxy-4,6-difluoro-7-(4-methylpentoxy)dibenzofuran
CID 121245762
3-butoxy-7-(cyclopentylmethoxy)-4,6-difluorodibenzofuran
CID 134454098
3-butoxy-7-cyclopentylsulfanyl-4,6-difluorodibenzofuran
CID 146324940
3-ethyl-4,6-difluoro-7-propoxydibenzofuran
CID 142394291
4,6-difluoro-3-propoxy-7-propyldibenzofuran
CID 118372761
4,6-difluoro-7-(4-methylpentoxy)dibenzofuran-3-ol
CID 123550664
4,6-difluoro-3-(5-propylnonoxy)-7-(trifluoromethoxy)dibenzofuran
CID 122606063
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol?
The IUPAC name of (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol (CID 125490777) is (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol.
What is the SMILES notation for (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol?
The canonical SMILES for (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol is CCCCOc1ccc2c(oc3c(F)c([C@H](O)CC)ccc32)c1F.
What is the InChIKey of (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol?
The InChIKey is XAPCUGCNWWFVPH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20F2O3/c1-3-5-10-23-15-9-8-12-11-6-7-13(14(22)4-2)16(20)18(11)24-19(12)17(15)21/h6-9,14,22H,3-5,10H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol?
(1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol has a molecular weight of 334.36 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(7-butoxy-4,6-difluorodibenzofuran-3-yl)propan-1-ol is sourced from PubChem (CID 125490777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).