methyl 3,4-dihydrophenanthrene-1-carboxylate

C16H14O2 — CID 601807

IUPACmethyl 3,4-dihydrophenanthrene-1-carboxylate
SMILESCOC(=O)C1=CCCc2c1ccc1ccccc21
InChIInChI=1S/C16H14O2/c1-18-16(17)15-8-4-7-13-12-6-3-2-5-11(12)9-10-14(13)15/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeySAULXAXGZJMYKA-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.34
Rot. Bonds1

About methyl 3,4-dihydrophenanthrene-1-carboxylate

methyl 3,4-dihydrophenanthrene-1-carboxylate (PubChem CID 601807) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3,4-dihydrophenanthrene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3,4-dihydrophenanthrene-1-carboxylate
PubChem CID601807
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Namemethyl 3,4-dihydrophenanthrene-1-carboxylate
SMILESCOC(=O)C1=CCCc2c1ccc1ccccc21
InChIInChI=1S/C16H14O2/c1-18-16(17)15-8-4-7-13-12-6-3-2-5-11(12)9-10-14(13)15/h2-3,5-6,8-10H,4,7H2,1H3
InChIKeySAULXAXGZJMYKA-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2H-benzo[h]chromene-4-carboxylate
CID 91192187
methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
CID 23567165
1-ethenyl-3,4-dihydrophenanthrene
CID 11127443
methyl 1-oxo-2-(4-oxopentan-2-yl)-3,4-dihydrophenanthrene-2-carboxylate
CID 5323713
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
dimethyl picene-13,14-dicarboxylate
CID 101053496
methyl 4-(hydroxymethyl)naphthalene-2-carboxylate
CID 12749200
methyl 1-oxo-3,4-dihydro-2H-phenanthrene-2-sulfonate
CID 24975192
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
ethane;methyl naphthalene-2-carboxylate
CID 143895262
methyl 1-phenylphenanthrene-3-carboxylate
CID 14065000
methyl 1-aminonaphthalene-2-carboxylate
CID 18006268

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydrophenanthrene-1-carboxylate?
The IUPAC name of methyl 3,4-dihydrophenanthrene-1-carboxylate (CID 601807) is methyl 3,4-dihydrophenanthrene-1-carboxylate.
What is the SMILES notation for methyl 3,4-dihydrophenanthrene-1-carboxylate?
The canonical SMILES for methyl 3,4-dihydrophenanthrene-1-carboxylate is COC(=O)C1=CCCc2c1ccc1ccccc21.
What is the InChIKey of methyl 3,4-dihydrophenanthrene-1-carboxylate?
The InChIKey is SAULXAXGZJMYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-18-16(17)15-8-4-7-13-12-6-3-2-5-11(12)9-10-14(13)15/h2-3,5-6,8-10H,4,7H2,1H3.
What are the key properties of methyl 3,4-dihydrophenanthrene-1-carboxylate?
methyl 3,4-dihydrophenanthrene-1-carboxylate has a molecular weight of 238.29 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydrophenanthrene-1-carboxylate is sourced from PubChem (CID 601807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).