4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol

C19H27FO2 — CID 89351640

IUPAC4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol
SMILESC=CCCC(CC)C1(O)c2c(OC)ccc(F)c2CC1(C)C
InChIInChI=1S/C19H27FO2/c1-6-8-9-13(7-2)19(21)17-14(12-18(19,3)4)15(20)10-11-16(17)22-5/h6,10-11,13,21H,1,7-9,12H2,2-5H3
InChIKeyMYUOXJCCRKKBCJ-UHFFFAOYSA-N
MW306.42 g/mol
LogP4.60
Rot. Bonds6

About 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol

4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol (PubChem CID 89351640) has the molecular formula C19H27FO2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol.

Molecular Properties

Compound Name4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol
PubChem CID89351640
Molecular FormulaC19H27FO2
Molecular Weight306.42 g/mol
Exact Mass306.20
IUPAC Name4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol
SMILESC=CCCC(CC)C1(O)c2c(OC)ccc(F)c2CC1(C)C
InChIInChI=1S/C19H27FO2/c1-6-8-9-13(7-2)19(21)17-14(12-18(19,3)4)15(20)10-11-16(17)22-5/h6,10-11,13,21H,1,7-9,12H2,2-5H3
InChIKeyMYUOXJCCRKKBCJ-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The IUPAC name of 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol (CID 89351640) is 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol.
What is the SMILES notation for 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The canonical SMILES for 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol is C=CCCC(CC)C1(O)c2c(OC)ccc(F)c2CC1(C)C.
What is the InChIKey of 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
The InChIKey is MYUOXJCCRKKBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO2/c1-6-8-9-13(7-2)19(21)17-14(12-18(19,3)4)15(20)10-11-16(17)22-5/h6,10-11,13,21H,1,7-9,12H2,2-5H3.
What are the key properties of 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol?
4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol has a molecular weight of 306.42 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-hept-6-en-3-yl-7-methoxy-2,2-dimethyl-3H-inden-1-ol is sourced from PubChem (CID 89351640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).