9-methoxy-11H-benzo[a]fluorene

C18H14O — CID 13401823

IUPAC9-methoxy-11H-benzo[a]fluorene
SMILESCOc1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C18H14O/c1-19-14-7-9-16-13(10-14)11-18-15-5-3-2-4-12(15)6-8-17(16)18/h2-10H,11H2,1H3
InChIKeyVKEISKRLQPFONR-UHFFFAOYSA-N
MW246.31 g/mol
LogP4.42
Rot. Bonds1

About 9-methoxy-11H-benzo[a]fluorene

9-methoxy-11H-benzo[a]fluorene (PubChem CID 13401823) has the molecular formula C18H14O and a molecular weight of 246.31 g/mol. Its IUPAC name is 9-methoxy-11H-benzo[a]fluorene.

Molecular Properties

Compound Name9-methoxy-11H-benzo[a]fluorene
PubChem CID13401823
Molecular FormulaC18H14O
Molecular Weight246.31 g/mol
Exact Mass246.10
IUPAC Name9-methoxy-11H-benzo[a]fluorene
SMILESCOc1ccc2c(c1)Cc1c-2ccc2ccccc12
InChIInChI=1S/C18H14O/c1-19-14-7-9-16-13(10-14)11-18-15-5-3-2-4-12(15)6-8-17(16)18/h2-10H,11H2,1H3
InChIKeyVKEISKRLQPFONR-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

undecacyclo[22.18.0.02,21.04,20.05,17.07,16.08,13.025,41.027,39.029,38.030,35]dotetraconta-1(24),2(21),4(20),5(17),7(16),8,10,12,14,18,22,25(41),26,29(38),30,32,34,36,39-nonadecaene
CID 158563548
decacyclo[18.18.0.02,18.05,17.06,15.09,14.022,37.023,35.025,33.027,32]octatriaconta-1(20),2(18),3,5(17),6(15),7,9,11,13,21,23(35),24,27,29,31,33,37-heptadecaene
CID 160943203
decacyclo[18.18.0.02,17.04,16.05,13.07,12.021,37.024,36.025,34.028,33]octatriaconta-1(20),2(17),4(16),5(13),7,9,11,14,18,21(37),22,24(36),25(34),26,28,30,32-heptadecaene
CID 160943205
2,8-dimethoxy-11H-benzo[b]fluorene-10-carbaldehyde
CID 20616848
17-methoxypentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-one
CID 11243834
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
(2,8-dimethoxy-11H-benzo[b]fluoren-10-yl) trifluoromethanesulfonate
CID 20616855
3-methoxy-11H-indeno[1,2-b]quinolin-10-amine
CID 23644794
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
11H-benzo[a]fluorene;indeno[2,1-a]fluorene
CID 161215965
undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.028,40.029,38.030,35]dotetraconta-1(24),2,4(20),5,8(17),9,11,13,15,18,22,25(41),26,28(40),29(38),30,32,34,36-nonadecaene
CID 159117646
13-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene
CID 154087157

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-11H-benzo[a]fluorene?
The IUPAC name of 9-methoxy-11H-benzo[a]fluorene (CID 13401823) is 9-methoxy-11H-benzo[a]fluorene.
What is the SMILES notation for 9-methoxy-11H-benzo[a]fluorene?
The canonical SMILES for 9-methoxy-11H-benzo[a]fluorene is COc1ccc2c(c1)Cc1c-2ccc2ccccc12.
What is the InChIKey of 9-methoxy-11H-benzo[a]fluorene?
The InChIKey is VKEISKRLQPFONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O/c1-19-14-7-9-16-13(10-14)11-18-15-5-3-2-4-12(15)6-8-17(16)18/h2-10H,11H2,1H3.
What are the key properties of 9-methoxy-11H-benzo[a]fluorene?
9-methoxy-11H-benzo[a]fluorene has a molecular weight of 246.31 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-11H-benzo[a]fluorene is sourced from PubChem (CID 13401823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).