7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene

C14H18O — CID 68524779

IUPAC7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
SMILESCOc1ccc2c(c1)CC1CCCCC21
InChIInChI=1S/C14H18O/c1-15-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyKWNQDPATGIWMJM-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.53
Rot. Bonds1

About 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene

7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene (PubChem CID 68524779) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene.

Molecular Properties

Compound Name7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
PubChem CID68524779
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene
SMILESCOc1ccc2c(c1)CC1CCCCC21
InChIInChI=1S/C14H18O/c1-15-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14/h6-7,9-10,13H,2-5,8H2,1H3
InChIKeyKWNQDPATGIWMJM-UHFFFAOYSA-N
XLogP3.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The IUPAC name of 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene (CID 68524779) is 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene.
What is the SMILES notation for 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The canonical SMILES for 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene is COc1ccc2c(c1)CC1CCCCC21.
What is the InChIKey of 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
The InChIKey is KWNQDPATGIWMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-15-12-6-7-14-11(9-12)8-10-4-2-3-5-13(10)14/h6-7,9-10,13H,2-5,8H2,1H3.
What are the key properties of 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene?
7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene has a molecular weight of 202.30 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,4a,9,9a-hexahydro-1H-fluorene is sourced from PubChem (CID 68524779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).