(2,3,7-trimethoxyphenanthren-9-yl)methanol

C18H18O4 — CID 71486073

IUPAC(2,3,7-trimethoxyphenanthren-9-yl)methanol
SMILESCOc1ccc2c(c1)c(CO)cc1cc(OC)c(OC)cc12
InChIInChI=1S/C18H18O4/c1-20-13-4-5-14-15(8-13)12(10-19)6-11-7-17(21-2)18(22-3)9-16(11)14/h4-9,19H,10H2,1-3H3
InChIKeyHAPUPAAAXNNJDB-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.51
Rot. Bonds4

About (2,3,7-trimethoxyphenanthren-9-yl)methanol

(2,3,7-trimethoxyphenanthren-9-yl)methanol (PubChem CID 71486073) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2,3,7-trimethoxyphenanthren-9-yl)methanol.

Molecular Properties

Compound Name(2,3,7-trimethoxyphenanthren-9-yl)methanol
PubChem CID71486073
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(2,3,7-trimethoxyphenanthren-9-yl)methanol
SMILESCOc1ccc2c(c1)c(CO)cc1cc(OC)c(OC)cc12
InChIInChI=1S/C18H18O4/c1-20-13-4-5-14-15(8-13)12(10-19)6-11-7-17(21-2)18(22-3)9-16(11)14/h4-9,19H,10H2,1-3H3
InChIKeyHAPUPAAAXNNJDB-UHFFFAOYSA-N
XLogP3.51
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3,6-trimethoxy-N-[(4-methoxyphenyl)methyl]-N-methylphenanthren-9-amine
CID 11091032
4-[(4,7-dimethoxynaphthalen-1-yl)methyl]-1,6-dimethoxynaphthalene
CID 157306599
2-(2,3-dimethoxy-6-methylphenanthren-9-yl)acetic acid
CID 175191408
2-amino-3-(4,7-dimethoxynaphthalen-1-yl)propan-1-ol;hydrochloride
CID 170893398
tert-butyl (5S)-2-oxo-5-[(2,3,6-trimethoxyphenanthren-9-yl)methyl]pyrrolidine-1-carboxylate
CID 134841951
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
CID 122386604
(2-amino-7-methoxyquinolin-3-yl)methanol
CID 62194670
1-(4-chlorophenyl)-3-(hydroxymethyl)-6,7-dimethoxynaphthalene-2-carboxylic acid
CID 139835013
(2-ethoxy-4-methoxyphenyl)methanol
CID 61267380
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol
CID 70555002
[5,6-dimethoxy-3-(4-methoxyphenoxy)-1-benzothiophen-2-yl]methanol
CID 18794388

Frequently Asked Questions

What is the IUPAC name of (2,3,7-trimethoxyphenanthren-9-yl)methanol?
The IUPAC name of (2,3,7-trimethoxyphenanthren-9-yl)methanol (CID 71486073) is (2,3,7-trimethoxyphenanthren-9-yl)methanol.
What is the SMILES notation for (2,3,7-trimethoxyphenanthren-9-yl)methanol?
The canonical SMILES for (2,3,7-trimethoxyphenanthren-9-yl)methanol is COc1ccc2c(c1)c(CO)cc1cc(OC)c(OC)cc12.
What is the InChIKey of (2,3,7-trimethoxyphenanthren-9-yl)methanol?
The InChIKey is HAPUPAAAXNNJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-13-4-5-14-15(8-13)12(10-19)6-11-7-17(21-2)18(22-3)9-16(11)14/h4-9,19H,10H2,1-3H3.
What are the key properties of (2,3,7-trimethoxyphenanthren-9-yl)methanol?
(2,3,7-trimethoxyphenanthren-9-yl)methanol has a molecular weight of 298.34 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,7-trimethoxyphenanthren-9-yl)methanol is sourced from PubChem (CID 71486073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).