1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol

C14H18O2 — CID 70560257

IUPAC1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol
SMILESOC1=CC2=C3CCCOC3CCC2CC=C1
InChIInChI=1S/C14H18O2/c15-11-4-1-3-10-6-7-14-12(13(10)9-11)5-2-8-16-14/h1,4,9-10,14-15H,2-3,5-8H2
InChIKeyWHCPONBPKHYZKB-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.27
Rot. Bonds

About 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol

1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol (PubChem CID 70560257) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol.

Molecular Properties

Compound Name1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol
PubChem CID70560257
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol
SMILESOC1=CC2=C3CCCOC3CCC2CC=C1
InChIInChI=1S/C14H18O2/c15-11-4-1-3-10-6-7-14-12(13(10)9-11)5-2-8-16-14/h1,4,9-10,14-15H,2-3,5-8H2
InChIKeyWHCPONBPKHYZKB-UHFFFAOYSA-N
XLogP3.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol?
The IUPAC name of 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol (CID 70560257) is 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol.
What is the SMILES notation for 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol?
The canonical SMILES for 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol is OC1=CC2=C3CCCOC3CCC2CC=C1.
What is the InChIKey of 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol?
The InChIKey is WHCPONBPKHYZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-11-4-1-3-10-6-7-14-12(13(10)9-11)5-2-8-16-14/h1,4,9-10,14-15H,2-3,5-8H2.
What are the key properties of 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol?
1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol has a molecular weight of 218.30 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4a,5,6,6a,7-octahydrocyclohepta[f]chromen-10-ol is sourced from PubChem (CID 70560257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).