6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol

C17H10O — CID 141367882

IUPAC6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol
SMILESOCc1cc2cc3c4cccc5ccc(c13)c2c54
InChIInChI=1S/C17H10O/c18-8-11-6-10-7-14-12-3-1-2-9-4-5-13(15(11)14)17(10)16(9)12/h1-7,18H,8H2
InChIKeyAVBBFSQFNXNCAE-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.11
Rot. Bonds1

About 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol

6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol (PubChem CID 141367882) has the molecular formula C17H10O and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol.

Molecular Properties

Compound Name6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol
PubChem CID141367882
Molecular FormulaC17H10O
Molecular Weight230.27 g/mol
Exact Mass230.07
IUPAC Name6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol
SMILESOCc1cc2cc3c4cccc5ccc(c13)c2c54
InChIInChI=1S/C17H10O/c18-8-11-6-10-7-14-12-3-1-2-9-4-5-13(15(11)14)17(10)16(9)12/h1-7,18H,8H2
InChIKeyAVBBFSQFNXNCAE-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

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CID 54570957
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CID 163289904
heptacyclo[18.6.2.02,15.03,8.09,14.017,27.024,28]octacosa-1(27),2(15),3,5,7,9,11,13,16,18,20(28),21,23,25-tetradecaene
CID 15820916
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
octacyclo[19.7.1.12,6.03,20.04,17.05,14.08,13.025,29]triaconta-1(28),2(30),3(20),4(17),5(14),6,8,10,12,15,18,21,23,25(29),26-pentadecaene
CID 21082965
octacyclo[19.7.1.114,18.02,19.04,17.07,16.010,15.025,29]triaconta-1(28),2,4(17),5,7(16),8,10(15),11,13,18(30),19,21,23,25(29),26-pentadecaene
CID 21087928
heptacyclo[14.10.2.02,11.03,8.012,28.019,27.020,25]octacosa-1(26),2(11),3,5,7,9,12,14,16(28),17,19(27),20,22,24-tetradecaene
CID 15820922
2-chrysen-5-ylethanol
CID 87369966
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
ethane-1,2-diol;perylene
CID 87614452
nonacyclo[14.14.2.02,11.03,8.04,29.012,32.019,31.021,30.022,27]dotriaconta-1(31),2(11),3(8),4,6,9,12,14,16(32),17,19,21(30),22,24,26,28-hexadecaene
CID 21083013
benzo[e]pyrene
CID 9128

Frequently Asked Questions

What is the IUPAC name of 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol?
The IUPAC name of 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol (CID 141367882) is 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol.
What is the SMILES notation for 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol?
The canonical SMILES for 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol is OCc1cc2cc3c4cccc5ccc(c13)c2c54.
What is the InChIKey of 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol?
The InChIKey is AVBBFSQFNXNCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O/c18-8-11-6-10-7-14-12-3-1-2-9-4-5-13(15(11)14)17(10)16(9)12/h1-7,18H,8H2.
What are the key properties of 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol?
6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol has a molecular weight of 230.27 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentacyclo[6.6.2.02,7.04,16.011,15]hexadeca-1(14),2,4,6,8(16),9,11(15),12-octaenylmethanol is sourced from PubChem (CID 141367882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).