(4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol

C18H15NO4 — CID 91678597

IUPAC(4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol
SMILESCOc1ccc(C(O)c2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15NO4/c1-23-17-10-9-13(11-16(17)19(21)22)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18,20H,1H3
InChIKeyRLPDJFARUIVJST-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.84
Rot. Bonds4

About (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol

(4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol (PubChem CID 91678597) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol.

Molecular Properties

Compound Name(4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol
PubChem CID91678597
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol
SMILESCOc1ccc(C(O)c2cccc3ccccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C18H15NO4/c1-23-17-10-9-13(11-16(17)19(21)22)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18,20H,1H3
InChIKeyRLPDJFARUIVJST-UHFFFAOYSA-N
XLogP3.84
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
3,4-dihydroxy-4-(4-methoxy-3-nitrophenyl)butanamide
CID 171899886
(4,5-dimethoxy-2-nitrophenyl)-(4-methoxyphenyl)methanol
CID 4598455
(1S,2R)-1-amino-1-(4-methoxy-3-nitrophenyl)-3-methylpentan-2-ol
CID 171267602
(3,4-dimethoxyphenyl)-(4-methyl-3-nitrophenyl)methanol
CID 91678407
(1S)-1-[2-(4-methoxy-3-nitrophenoxy)phenyl]ethanol
CID 103201808
bromo-[1-(4-methoxy-3-nitrophenyl)ethyl]-triphenyl-λ5-phosphane
CID 175546043
[acetyloxy-(4-methoxy-3-nitrophenyl)methyl] acetate
CID 824269
4-methoxy-N-[(1S)-1-naphthalen-2-ylethyl]-3-nitrobenzamide
CID 7733620
(1S,2R)-1-amino-1-(4-methoxy-3-nitrophenyl)pentan-2-ol;hydrochloride
CID 171267605
(1S,2R)-1-amino-1-(4-methoxy-3-nitrophenyl)-5-methylhexan-2-ol
CID 171267608
1,2-bis(4-methoxy-3-nitrophenyl)ethane-1,2-dione
CID 3126152

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol?
The IUPAC name of (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol (CID 91678597) is (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol.
What is the SMILES notation for (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol?
The canonical SMILES for (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol is COc1ccc(C(O)c2cccc3ccccc23)cc1[N+](=O)[O-].
What is the InChIKey of (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol?
The InChIKey is RLPDJFARUIVJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-23-17-10-9-13(11-16(17)19(21)22)18(20)15-8-4-6-12-5-2-3-7-14(12)15/h2-11,18,20H,1H3.
What are the key properties of (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol?
(4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol has a molecular weight of 309.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-nitrophenyl)-naphthalen-1-ylmethanol is sourced from PubChem (CID 91678597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).