1-[7-(methoxymethyl)phenanthren-3-yl]ethanol

C18H18O2 — CID 542665

IUPAC1-[7-(methoxymethyl)phenanthren-3-yl]ethanol
SMILESCOCc1ccc2c(ccc3ccc(C(C)O)cc32)c1
InChIInChI=1S/C18H18O2/c1-12(19)15-6-4-14-5-7-16-9-13(11-20-2)3-8-17(16)18(14)10-15/h3-10,12,19H,11H2,1-2H3
InChIKeySMFZGIBQSVCUGQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.19
Rot. Bonds3

About 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol

1-[7-(methoxymethyl)phenanthren-3-yl]ethanol (PubChem CID 542665) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol.

Molecular Properties

Compound Name1-[7-(methoxymethyl)phenanthren-3-yl]ethanol
PubChem CID542665
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name1-[7-(methoxymethyl)phenanthren-3-yl]ethanol
SMILESCOCc1ccc2c(ccc3ccc(C(C)O)cc32)c1
InChIInChI=1S/C18H18O2/c1-12(19)15-6-4-14-5-7-16-9-13(11-20-2)3-8-17(16)18(14)10-15/h3-10,12,19H,11H2,1-2H3
InChIKeySMFZGIBQSVCUGQ-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-Anthracenemethanol
CID 73848
1-Pyrenemethanol
CID 104977
2-Naphthalenemethanol
CID 74128
Benzo(a)pyrene-7,8-dihydrodiol
CID 25892
12-Methylbenz(a)anthracene-7-methanol
CID 11285
6b,7a-Dihydrobenzo(10,11)chryseno(1,2-b)oxirene
CID 37455
Benzo(a)pyrene-6-methanol
CID 30544
7-Hydroxy-7,8,9,10-tetrahydrobenzo(a)pyrene
CID 97714
1-(1-Pyrenyl)ethanol
CID 119118
2-Pyrenemethanol
CID 146932
3-(5'-{2-[3,4-Bis(Hydroxymethyl)phenyl]ethyl}-2'-Methyl-2-Propylbiphenyl-4-Yl)pentan-3-Ol
CID 9847095
Amediplase
CID 154656

Frequently Asked Questions

What is the IUPAC name of 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol?
The IUPAC name of 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol (CID 542665) is 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol.
What is the SMILES notation for 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol?
The canonical SMILES for 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol is COCc1ccc2c(ccc3ccc(C(C)O)cc32)c1.
What is the InChIKey of 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol?
The InChIKey is SMFZGIBQSVCUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12(19)15-6-4-14-5-7-16-9-13(11-20-2)3-8-17(16)18(14)10-15/h3-10,12,19H,11H2,1-2H3.
What are the key properties of 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol?
1-[7-(methoxymethyl)phenanthren-3-yl]ethanol has a molecular weight of 266.34 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(methoxymethyl)phenanthren-3-yl]ethanol is sourced from PubChem (CID 542665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).