(3,6-diethyl-9H-fluoren-9-yl)methanediol

C18H20O2 — CID 174782635

IUPAC(3,6-diethyl-9H-fluoren-9-yl)methanediol
SMILESCCc1ccc2c(c1)-c1cc(CC)ccc1C2C(O)O
InChIInChI=1S/C18H20O2/c1-3-11-5-7-13-15(9-11)16-10-12(4-2)6-8-14(16)17(13)18(19)20/h5-10,17-20H,3-4H2,1-2H3
InChIKeyUEGNYYOLMUGESN-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.23
Rot. Bonds3

About (3,6-diethyl-9H-fluoren-9-yl)methanediol

(3,6-diethyl-9H-fluoren-9-yl)methanediol (PubChem CID 174782635) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is (3,6-diethyl-9H-fluoren-9-yl)methanediol.

Molecular Properties

Compound Name(3,6-diethyl-9H-fluoren-9-yl)methanediol
PubChem CID174782635
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name(3,6-diethyl-9H-fluoren-9-yl)methanediol
SMILESCCc1ccc2c(c1)-c1cc(CC)ccc1C2C(O)O
InChIInChI=1S/C18H20O2/c1-3-11-5-7-13-15(9-11)16-10-12(4-2)6-8-14(16)17(13)18(19)20/h5-10,17-20H,3-4H2,1-2H3
InChIKeyUEGNYYOLMUGESN-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,6-diethylanthracene-9,10-dione
CID 130464580
(1R,2S)-1,2-bis(4-ethylphenyl)ethane-1,2-diol
CID 131850770
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
1-(3-ethylphenoxy)ethanol
CID 66709778
1-(3-ethylphenyl)propan-2-ol
CID 85092525
2-(4-ethylphenyl)propane-1,3-diol
CID 14527849
6-ethyl-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 63821566
6-ethyl-3-methyl-2,3-dihydro-1H-indole
CID 88995229
4-ethyl-1-methyl-2-(3-methylphenyl)benzene
CID 91311090
(2,6-dimethyl-4-pyridinyl)-(4-ethylphenyl)methanol
CID 107502814
2-ethyl-6-fluoro-9H-fluoren-9-amine
CID 91046911
1-(3-ethylphenyl)butan-2-ol
CID 91658604

Frequently Asked Questions

What is the IUPAC name of (3,6-diethyl-9H-fluoren-9-yl)methanediol?
The IUPAC name of (3,6-diethyl-9H-fluoren-9-yl)methanediol (CID 174782635) is (3,6-diethyl-9H-fluoren-9-yl)methanediol.
What is the SMILES notation for (3,6-diethyl-9H-fluoren-9-yl)methanediol?
The canonical SMILES for (3,6-diethyl-9H-fluoren-9-yl)methanediol is CCc1ccc2c(c1)-c1cc(CC)ccc1C2C(O)O.
What is the InChIKey of (3,6-diethyl-9H-fluoren-9-yl)methanediol?
The InChIKey is UEGNYYOLMUGESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-3-11-5-7-13-15(9-11)16-10-12(4-2)6-8-14(16)17(13)18(19)20/h5-10,17-20H,3-4H2,1-2H3.
What are the key properties of (3,6-diethyl-9H-fluoren-9-yl)methanediol?
(3,6-diethyl-9H-fluoren-9-yl)methanediol has a molecular weight of 268.36 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-diethyl-9H-fluoren-9-yl)methanediol is sourced from PubChem (CID 174782635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).