2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid

C18H21FO3 — CID 71128950

IUPAC2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CCC2C3CC(CC31)[C@@H]2O
InChIInChI=1S/C18H21FO3/c19-12-3-1-2-11(8-12)18(9-16(20)21)5-4-13-14-6-10(17(13)22)7-15(14)18/h1-3,8,10,13-15,17,22H,4-7,9H2,(H,20,21)/t10?,13?,14?,15?,17-,18?/m0/s1
InChIKeyIWHYQRPQBAYQHW-DJDYJKQYSA-N
MW304.36 g/mol
LogP2.97
Rot. Bonds3

About 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid

2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid (PubChem CID 71128950) has the molecular formula C18H21FO3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid.

Molecular Properties

Compound Name2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
PubChem CID71128950
Molecular FormulaC18H21FO3
Molecular Weight304.36 g/mol
Exact Mass304.15
IUPAC Name2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
SMILESO=C(O)CC1(c2cccc(F)c2)CCC2C3CC(CC31)[C@@H]2O
InChIInChI=1S/C18H21FO3/c19-12-3-1-2-11(8-12)18(9-16(20)21)5-4-13-14-6-10(17(13)22)7-15(14)18/h1-3,8,10,13-15,17,22H,4-7,9H2,(H,20,21)/t10?,13?,14?,15?,17-,18?/m0/s1
InChIKeyIWHYQRPQBAYQHW-DJDYJKQYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
The IUPAC name of 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid (CID 71128950) is 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid.
What is the SMILES notation for 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
The canonical SMILES for 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid is O=C(O)CC1(c2cccc(F)c2)CCC2C3CC(CC31)[C@@H]2O.
What is the InChIKey of 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
The InChIKey is IWHYQRPQBAYQHW-DJDYJKQYSA-N. The full InChI is InChI=1S/C18H21FO3/c19-12-3-1-2-11(8-12)18(9-16(20)21)5-4-13-14-6-10(17(13)22)7-15(14)18/h1-3,8,10,13-15,17,22H,4-7,9H2,(H,20,21)/t10?,13?,14?,15?,17-,18?/m0/s1.
What are the key properties of 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid?
2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid has a molecular weight of 304.36 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid is sourced from PubChem (CID 71128950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).