[3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol

C18H29FO2 — CID 118018333

IUPAC[3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol
SMILESCCCC1CC(CO)CC(OCC)=C1C1=CC[C@H](F)CC1
InChIInChI=1S/C18H29FO2/c1-3-5-15-10-13(12-20)11-17(21-4-2)18(15)14-6-8-16(19)9-7-14/h6,13,15-16,20H,3-5,7-12H2,1-2H3/t13?,15?,16-/m0/s1
InChIKeyJGYHFQVDNRTKHT-BCLQGDPASA-N
MW296.43 g/mol
LogP4.54
Rot. Bonds6

About [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol

[3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol (PubChem CID 118018333) has the molecular formula C18H29FO2 and a molecular weight of 296.43 g/mol. Its IUPAC name is [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol.

Molecular Properties

Compound Name[3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol
PubChem CID118018333
Molecular FormulaC18H29FO2
Molecular Weight296.43 g/mol
Exact Mass296.22
IUPAC Name[3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol
SMILESCCCC1CC(CO)CC(OCC)=C1C1=CC[C@H](F)CC1
InChIInChI=1S/C18H29FO2/c1-3-5-15-10-13(12-20)11-17(21-4-2)18(15)14-6-8-16(19)9-7-14/h6,13,15-16,20H,3-5,7-12H2,1-2H3/t13?,15?,16-/m0/s1
InChIKeyJGYHFQVDNRTKHT-BCLQGDPASA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol?
The IUPAC name of [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol (CID 118018333) is [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol.
What is the SMILES notation for [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol?
The canonical SMILES for [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol is CCCC1CC(CO)CC(OCC)=C1C1=CC[C@H](F)CC1.
What is the InChIKey of [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol?
The InChIKey is JGYHFQVDNRTKHT-BCLQGDPASA-N. The full InChI is InChI=1S/C18H29FO2/c1-3-5-15-10-13(12-20)11-17(21-4-2)18(15)14-6-8-16(19)9-7-14/h6,13,15-16,20H,3-5,7-12H2,1-2H3/t13?,15?,16-/m0/s1.
What are the key properties of [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol?
[3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol has a molecular weight of 296.43 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-[(4R)-4-fluorocyclohexen-1-yl]-5-propylcyclohex-3-en-1-yl]methanol is sourced from PubChem (CID 118018333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).