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

C18H19FO — CID 154713761

IUPAC(3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene
SMILESCCO[C@]1(c2ccccc2)c2ccccc2CC[C@@H]1F
InChIInChI=1S/C18H19FO/c1-2-20-18(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-17(18)19/h3-11,17H,2,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyGHQAXKNGTADNKC-ZWKOTPCHSA-N
MW270.35 g/mol
LogP4.25
Rot. Bonds3

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

(3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene (PubChem CID 154713761) has the molecular formula C18H19FO and a molecular weight of 270.35 g/mol. Its IUPAC name is (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name(3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene
PubChem CID154713761
Molecular FormulaC18H19FO
Molecular Weight270.35 g/mol
Exact Mass270.14
IUPAC Name(3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene
SMILESCCO[C@]1(c2ccccc2)c2ccccc2CC[C@@H]1F
InChIInChI=1S/C18H19FO/c1-2-20-18(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-17(18)19/h3-11,17H,2,12-13H2,1H3/t17-,18+/m0/s1
InChIKeyGHQAXKNGTADNKC-ZWKOTPCHSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-biphenyl
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1a,9b-Dihydrophenanthro(9,10-b)oxirene
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9,10-Phenanthrenediol, 9,10-dihydro-, 9,10-diacetate, (9S,10S)-
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2,4-Diphenyloctahydro-2H-1-benzopyran
CID 3055531
Tert-butyl diphenylmethyl ether
CID 255804
3,4-dihydro-2H-spiro[naphthalene-1,2'-oxirane]
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CID 443196

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene?
The IUPAC name of (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene (CID 154713761) is (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene?
The canonical SMILES for (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene is CCO[C@]1(c2ccccc2)c2ccccc2CC[C@@H]1F.
What is the InChIKey of (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene?
The InChIKey is GHQAXKNGTADNKC-ZWKOTPCHSA-N. The full InChI is InChI=1S/C18H19FO/c1-2-20-18(15-9-4-3-5-10-15)16-11-7-6-8-14(16)12-13-17(18)19/h3-11,17H,2,12-13H2,1H3/t17-,18+/m0/s1.
What are the key properties of (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene?
(3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene has a molecular weight of 270.35 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-ethoxy-3-fluoro-4-phenyl-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 154713761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).