(3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene

C19H21FO — CID 154713763

IUPAC(3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene
SMILESCC(C)O[C@]1(c2ccccc2)c2ccccc2CC[C@@H]1F
InChIInChI=1S/C19H21FO/c1-14(2)21-19(16-9-4-3-5-10-16)17-11-7-6-8-15(17)12-13-18(19)20/h3-11,14,18H,12-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyJOZOCDGRIQDSGE-RBUKOAKNSA-N
MW284.37 g/mol
LogP4.64
Rot. Bonds3

About (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene

(3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene (PubChem CID 154713763) has the molecular formula C19H21FO and a molecular weight of 284.37 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene
PubChem CID154713763
Molecular FormulaC19H21FO
Molecular Weight284.37 g/mol
Exact Mass284.16
IUPAC Name(3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene
SMILESCC(C)O[C@]1(c2ccccc2)c2ccccc2CC[C@@H]1F
InChIInChI=1S/C19H21FO/c1-14(2)21-19(16-9-4-3-5-10-16)17-11-7-6-8-15(17)12-13-18(19)20/h3-11,14,18H,12-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyJOZOCDGRIQDSGE-RBUKOAKNSA-N
XLogP4.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Methyl trityl ether
CID 136388
Ethyl trityl ether
CID 294563
Bis[bis(2-methylphenyl)methyl] ether
CID 4248814
2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
CID 18546500
1a,9b-Dihydrophenanthro(9,10-b)oxirene
CID 104975
4-(Methoxy-phenyl-methyl)-biphenyl
CID 4408101
Diphenylmethyl propyl ether
CID 4651659
Edmba
CID 38354
9,10-Phenanthrenediol, 9,10-dihydro-, 9,10-diacetate, (9S,10S)-
CID 6427274
2,4-Diphenyloctahydro-2H-1-benzopyran
CID 3055531
Tert-butyl diphenylmethyl ether
CID 255804
3,4-dihydro-2H-spiro[naphthalene-1,2'-oxirane]
CID 12257659

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene?
The IUPAC name of (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene (CID 154713763) is (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene?
The canonical SMILES for (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene is CC(C)O[C@]1(c2ccccc2)c2ccccc2CC[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene?
The InChIKey is JOZOCDGRIQDSGE-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H21FO/c1-14(2)21-19(16-9-4-3-5-10-16)17-11-7-6-8-15(17)12-13-18(19)20/h3-11,14,18H,12-13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene?
(3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene has a molecular weight of 284.37 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-4-phenyl-4-propan-2-yloxy-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 154713763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).