2-chrysen-5-ylethanol

C20H16O — CID 87369966

IUPAC2-chrysen-5-ylethanol
SMILESOCCc1cc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C20H16O/c21-12-11-16-13-15-6-2-3-7-17(15)19-10-9-14-5-1-4-8-18(14)20(16)19/h1-10,13,21H,11-12H2
InChIKeyAZOGRMVLPKJLCP-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.68
Rot. Bonds2

About 2-chrysen-5-ylethanol

2-chrysen-5-ylethanol (PubChem CID 87369966) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-chrysen-5-ylethanol.

Molecular Properties

Compound Name2-chrysen-5-ylethanol
PubChem CID87369966
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name2-chrysen-5-ylethanol
SMILESOCCc1cc2ccccc2c2ccc3ccccc3c12
InChIInChI=1S/C20H16O/c21-12-11-16-13-15-6-2-3-7-17(15)19-10-9-14-5-1-4-8-18(14)20(16)19/h1-10,13,21H,11-12H2
InChIKeyAZOGRMVLPKJLCP-UHFFFAOYSA-N
XLogP4.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.68
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

2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol
CID 87369829
2-chrysen-1-ylethanol
CID 87369772
2-chrysen-2-ylethanol
CID 87369474
2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol
CID 87369423
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
heptacyclo[16.12.0.02,15.03,12.04,9.020,29.021,26]triaconta-1(30),2(15),3(12),4,6,8,10,13,16,18,20(29),21,23,25,27-pentadecaene
CID 155637443
heptacyclo[16.12.0.02,11.03,8.012,17.021,30.023,28]triaconta-1(18),2(11),3,5,7,9,12,14,16,19,21,23,25,27,29-pentadecaene
CID 164666450
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
4-(2-hydroxyethyl)benzo[e]isoindole-1,3-dione
CID 70302799
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
ethane;2-naphthalen-1-ylethanol
CID 145119048
heptacyclo[16.12.0.03,16.04,13.07,12.019,28.022,27]triaconta-1,3(16),4(13),5,7,9,11,14,17,19(28),20,22,24,26,29-pentadecaene
CID 6431039

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-5-ylethanol?
The IUPAC name of 2-chrysen-5-ylethanol (CID 87369966) is 2-chrysen-5-ylethanol.
What is the SMILES notation for 2-chrysen-5-ylethanol?
The canonical SMILES for 2-chrysen-5-ylethanol is OCCc1cc2ccccc2c2ccc3ccccc3c12.
What is the InChIKey of 2-chrysen-5-ylethanol?
The InChIKey is AZOGRMVLPKJLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c21-12-11-16-13-15-6-2-3-7-17(15)19-10-9-14-5-1-4-8-18(14)20(16)19/h1-10,13,21H,11-12H2.
What are the key properties of 2-chrysen-5-ylethanol?
2-chrysen-5-ylethanol has a molecular weight of 272.35 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chrysen-5-ylethanol is sourced from PubChem (CID 87369966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).