6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol

C16H15FO — CID 170081699

IUPAC6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol
SMILESCC#Cc1c(F)ccc2cc(O)cc(C(C)C)c12
InChIInChI=1S/C16H15FO/c1-4-5-13-15(17)7-6-11-8-12(18)9-14(10(2)3)16(11)13/h6-10,18H,1-3H3
InChIKeyQWKMDAXYKBFJRY-UHFFFAOYSA-N
MW242.29 g/mol
LogP4.18
Rot. Bonds1

About 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol

6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol (PubChem CID 170081699) has the molecular formula C16H15FO and a molecular weight of 242.29 g/mol. Its IUPAC name is 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol.

Molecular Properties

Compound Name6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol
PubChem CID170081699
Molecular FormulaC16H15FO
Molecular Weight242.29 g/mol
Exact Mass242.11
IUPAC Name6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol
SMILESCC#Cc1c(F)ccc2cc(O)cc(C(C)C)c12
InChIInChI=1S/C16H15FO/c1-4-5-13-15(17)7-6-11-8-12(18)9-14(10(2)3)16(11)13/h6-10,18H,1-3H3
InChIKeyQWKMDAXYKBFJRY-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol?
The IUPAC name of 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol (CID 170081699) is 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol.
What is the SMILES notation for 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol?
The canonical SMILES for 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol is CC#Cc1c(F)ccc2cc(O)cc(C(C)C)c12.
What is the InChIKey of 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol?
The InChIKey is QWKMDAXYKBFJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO/c1-4-5-13-15(17)7-6-11-8-12(18)9-14(10(2)3)16(11)13/h6-10,18H,1-3H3.
What are the key properties of 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol?
6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol has a molecular weight of 242.29 g/mol, XLogP of 4.18, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol is sourced from PubChem (CID 170081699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).