2-chrysen-2-ylethanol

C20H16O — CID 87369474

IUPAC2-chrysen-2-ylethanol
SMILESOCCc1ccc2c(ccc3c4ccccc4ccc23)c1
InChIInChI=1S/C20H16O/c21-12-11-14-5-8-18-16(13-14)7-10-19-17-4-2-1-3-15(17)6-9-20(18)19/h1-10,13,21H,11-12H2
InChIKeyBPROORYZJNCDSA-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.68
Rot. Bonds2

About 2-chrysen-2-ylethanol

2-chrysen-2-ylethanol (PubChem CID 87369474) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-chrysen-2-ylethanol.

Molecular Properties

Compound Name2-chrysen-2-ylethanol
PubChem CID87369474
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name2-chrysen-2-ylethanol
SMILESOCCc1ccc2c(ccc3c4ccccc4ccc23)c1
InChIInChI=1S/C20H16O/c21-12-11-14-5-8-18-16(13-14)7-10-19-17-4-2-1-3-15(17)6-9-20(18)19/h1-10,13,21H,11-12H2
InChIKeyBPROORYZJNCDSA-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-naphthalen-1-ylethanol;2-naphthalen-2-ylethanol
CID 22072995
2-chrysen-1-ylethanol
CID 87369772
2-chrysen-5-ylethanol
CID 87369966
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
octacyclo[16.16.0.02,15.04,13.07,12.019,32.022,31.023,28]tetratriaconta-1(18),2,4(13),5,7,9,11,14,16,19(32),20,22(31),23,25,27,29,33-heptadecaene
CID 173096286
2-(phenanthren-9-ylmethyl)phenanthrene
CID 161235111
heptacyclo[16.12.0.02,15.04,13.05,10.019,28.022,27]triaconta-1(18),2(15),3,5,7,9,11,13,16,19(28),20,22,24,26,29-pentadecaene
CID 21088016
2-[5-(sulfonylamino)naphthalen-2-yl]ethanol
CID 174644890
chrysene;iron
CID 157379031
2-naphtho[1,2-g][1]benzothiol-2-ylethanol
CID 139625318
2-[6,7-bis(2-hydroxyethyl)naphthalen-2-yl]ethanol
CID 150686406
2-[5-(2-hydroxyethyl)chrysen-6-yl]ethanol
CID 87369423

Frequently Asked Questions

What is the IUPAC name of 2-chrysen-2-ylethanol?
The IUPAC name of 2-chrysen-2-ylethanol (CID 87369474) is 2-chrysen-2-ylethanol.
What is the SMILES notation for 2-chrysen-2-ylethanol?
The canonical SMILES for 2-chrysen-2-ylethanol is OCCc1ccc2c(ccc3c4ccccc4ccc23)c1.
What is the InChIKey of 2-chrysen-2-ylethanol?
The InChIKey is BPROORYZJNCDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c21-12-11-14-5-8-18-16(13-14)7-10-19-17-4-2-1-3-15(17)6-9-20(18)19/h1-10,13,21H,11-12H2.
What are the key properties of 2-chrysen-2-ylethanol?
2-chrysen-2-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-2-ylethanol is sourced from PubChem (CID 87369474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).