(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol

C14H16F2O2 — CID 143514062

IUPAC(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol
SMILESOCC12CCCCC1COc1c(F)ccc(F)c12
InChIInChI=1S/C14H16F2O2/c15-10-4-5-11(16)13-12(10)14(8-17)6-2-1-3-9(14)7-18-13/h4-5,9,17H,1-3,6-8H2
InChIKeyBBULXXATYFXCFF-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.78
Rot. Bonds1

About (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol

(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol (PubChem CID 143514062) has the molecular formula C14H16F2O2 and a molecular weight of 254.28 g/mol. Its IUPAC name is (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol.

Molecular Properties

Compound Name(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol
PubChem CID143514062
Molecular FormulaC14H16F2O2
Molecular Weight254.28 g/mol
Exact Mass254.11
IUPAC Name(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol
SMILESOCC12CCCCC1COc1c(F)ccc(F)c12
InChIInChI=1S/C14H16F2O2/c15-10-4-5-11(16)13-12(10)14(8-17)6-2-1-3-9(14)7-18-13/h4-5,9,17H,1-3,6-8H2
InChIKeyBBULXXATYFXCFF-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol?
The IUPAC name of (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol (CID 143514062) is (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol.
What is the SMILES notation for (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol?
The canonical SMILES for (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol is OCC12CCCCC1COc1c(F)ccc(F)c12.
What is the InChIKey of (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol?
The InChIKey is BBULXXATYFXCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O2/c15-10-4-5-11(16)13-12(10)14(8-17)6-2-1-3-9(14)7-18-13/h4-5,9,17H,1-3,6-8H2.
What are the key properties of (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol?
(1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol has a molecular weight of 254.28 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-difluoro-6,6a,7,8,9,10-hexahydrobenzo[c]chromen-10a-yl)methanol is sourced from PubChem (CID 143514062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).