2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene

C19H19F3O2 — CID 18377936

IUPAC2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
SMILESCCCCOc1ccc2c(c1)CCc1cc(OC(F)(F)F)ccc1-2
InChIInChI=1S/C19H19F3O2/c1-2-3-10-23-15-6-8-17-13(11-15)4-5-14-12-16(7-9-18(14)17)24-19(20,21)22/h6-9,11-12H,2-5,10H2,1H3
InChIKeyUAALQAYXTRKCBM-UHFFFAOYSA-N
MW336.35 g/mol
LogP5.53
Rot. Bonds5

About 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene

2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene (PubChem CID 18377936) has the molecular formula C19H19F3O2 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
PubChem CID18377936
Molecular FormulaC19H19F3O2
Molecular Weight336.35 g/mol
Exact Mass336.13
IUPAC Name2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
SMILESCCCCOc1ccc2c(c1)CCc1cc(OC(F)(F)F)ccc1-2
InChIInChI=1S/C19H19F3O2/c1-2-3-10-23-15-6-8-17-13(11-15)4-5-14-12-16(7-9-18(14)17)24-19(20,21)22/h6-9,11-12H,2-5,10H2,1H3
InChIKeyUAALQAYXTRKCBM-UHFFFAOYSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.35
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377916
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
2-pentoxy-9,10-dihydrophenanthrene
CID 143490734
5-pentoxy-2,3-dihydroinden-1-one
CID 104986088
5-(trifluoromethoxy)-2,3-dihydroinden-1-one
CID 22119026
2-fluoro-4-pentoxy-1-[4-[4-(trifluoromethoxy)phenyl]phenyl]benzene
CID 67797398
1-fluoro-7-heptoxy-2-pentoxy-9,10-dihydrophenanthrene
CID 21267234
1,3-difluoro-2-heptoxy-7-nonoxy-9,10-dihydrophenanthrene
CID 140993233
1-fluoro-2-nonoxy-7-propoxy-9,10-dihydrophenanthrene
CID 21267085
8-decoxy-3-heptoxy-5,6-dihydrobenzo[f]quinoline
CID 57286195
2,3-difluoro-1-(4-hexoxyphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388550
6-hexadecoxy-3,4-dihydro-2H-naphthalen-1-one
CID 71387522

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
The IUPAC name of 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene (CID 18377936) is 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
The canonical SMILES for 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene is CCCCOc1ccc2c(c1)CCc1cc(OC(F)(F)F)ccc1-2.
What is the InChIKey of 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
The InChIKey is UAALQAYXTRKCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3O2/c1-2-3-10-23-15-6-8-17-13(11-15)4-5-14-12-16(7-9-18(14)17)24-19(20,21)22/h6-9,11-12H,2-5,10H2,1H3.
What are the key properties of 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene has a molecular weight of 336.35 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene is sourced from PubChem (CID 18377936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).